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网站主页CAS数据库列表 77174-66-4更多图谱盐酸氯康唑(77174-66-4)红外图谱(IR2)

盐酸氯康唑

产品名称 盐酸氯康唑

CAS号77174-66-4

分子式C18H16Cl2N2O

分子量347.23844

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  • Mass

    MS-IW-4290          
    1-(2-(3-chlorobenzyloxy)-alpha-methylenebenzyl)imidazole hydrochloride
    C18H15ClN2O HCl     (Mass of molecular ion:    310)
    

       Source Temperature: 190 °C
       Sample Temperature: 160 °C
       Direct, 75 eV
    

          27.0       1.2
          28.0       2.4
          36.0       2.4
          38.0       1.2
          39.0       4.3
          40.0       2.2
          41.0       3.3
          50.0       1.2
          51.0       3.4
          52.0       1.2
          62.0       1.2
          63.0       7.2
          64.0       2.5
          65.0       2.6
          68.0       6.2
          69.0       2.8
          75.0       2.1
          76.0       1.9
          77.0       4.5
          78.0       1.0
          81.0       1.7
          89.0      25.4
          90.0      14.8
          91.0      11.6
          92.0       1.2
          99.0       6.1
         101.0       2.9
         102.0       2.6
         103.0       5.2
         104.0       1.2
         115.0       1.5
         116.0       1.2
         118.0      16.0
         119.0       5.2
         120.0       1.1
         125.0      99.6
         126.0      10.1
         127.0      32.8
         128.0       4.5
         129.0       1.3
         130.0      12.5
         131.0       7.0
         132.0       1.1
         144.0       1.5
         146.0       4.8
         147.0       1.0
         149.0       1.0
         156.0       4.2
         157.0      15.5
         158.0       8.4
         159.0       1.6
         165.0       6.2
         166.0       1.1
         167.0       2.1
         168.0       1.5
         171.0       1.6
         172.0       2.1
         178.0       2.1
         179.0       1.9
         184.0       3.7
         185.0     100.0
         186.0      13.6
         187.0       1.1
         191.0       4.5
         192.0       3.5
         193.0       7.8
         194.0       1.8
         195.0       2.1
         199.0       1.9
         207.0       2.8
         208.0       1.6
         215.0       1.6
         217.0       1.3
         241.0       1.8
         242.0      10.8
         243.0      23.3
         244.0       7.2
         245.0       7.8
         246.0       1.4
         268.0       2.2
         281.0       1.9
         282.0       3.9
         283.0       4.8
         284.0       1.9
         285.0       1.4
         293.0       2.2
         295.0       3.3
         309.0      32.7
         310.0      78.9
         311.0      26.7
         312.0      27.3
         313.0       5.5
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C18 H15 Cl N2 O 0.032 g : 0.5 ml CDCl3
    1-(2-(3-chlorobenzyloxy)-alpha-methylenebenzyl)imidazole hydrochloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.617 B 7.502 C 7.410 D 7.388 E 7.335 F 7.307 G 7.279 J 7.109 K 7.074 L 7.00 M 6.99 N *1 5.861 P *1 5.521 Q 4.919 ASSIGNED BY H-H AND C-H COSY. J(A,D)=J(A,F)=1.3HZ J(B,C)=1.8HZ J(B,J)=7.6HZ J(B,M)=8.4HZ J(C,J)=7.6HZ J(N,P)=2.2HZ

         Hz     ppm     Int.
    

       3443.73   8.617    347
       3442.38   8.614    222
       3007.57   7.526    122
       3005.74   7.521    135
       3000.00   7.507    163
       2999.15   7.505    179
       2998.29   7.503    192
       2997.44   7.501    189
       2991.70   7.486    150
       2989.87   7.482    165
       2966.31   7.423    228
       2964.60   7.418    217
       2958.74   7.404    279
       2957.03   7.400    253
       2954.22   7.393    218
       2952.51   7.388    314
       2951.05   7.385    229
       2940.80   7.359    143
       2933.11   7.340    328
       2925.29   7.320    292
       2921.88   7.312    229
       2920.17   7.307    334
       2918.46   7.303    206
       2913.45   7.291    177
       2912.23   7.287    220
       2911.38   7.285    219
       2910.16   7.282    196
       2905.40   7.270    101
       2904.17   7.267    107
       2903.32   7.265    126
       2902.10   7.262     99
       2849.00   7.129    172
       2848.02   7.127    191
       2841.55   7.111    304
       2840.58   7.108    334
       2833.98   7.092    151
       2833.01   7.089    160
       2828.98   7.079    213
       2827.27   7.075    344
       2825.68   7.071    209
       2803.34   7.015    261
       2802.73   7.013    271
       2796.39   6.998    224
       2795.04   6.994    350
       2790.53   6.983    129
       2788.94   6.979    181
       2343.51   5.864    420
       2341.31   5.859    434
       2207.76   5.525    331
       2205.69   5.520    329
       1966.06   4.920   1000
    

in CDCl3



KBr disc



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