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553-86-6

2-COUMARANONE

Product Name 2-COUMARANONE

CAS553-86-6

MFC8H6O2

MW134.13

More

  • 553-86-6_ms
    Mass

    MS-NW-9713          
    2(3H)-benzofuranone
    C8H6O2              (Mass of molecular ion:    134)
    

       Source Temperature: 210 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          37.0       1.2
          38.0       3.6
          38.5       1.2
          39.0       8.2
          50.0       5.2
          51.0       9.3
          52.0       7.8
          53.0       2.5
          62.0       1.1
          63.0       2.5
          67.0       3.8
          74.0       1.3
          76.0       1.2
          77.0       8.7
          78.0      50.5
          79.0       3.6
          89.0       1.8
         105.0       5.1
         106.0      42.4
         107.0       3.5
         134.0     100.0
         135.0       9.1
    

400 MHz in CDCl3

  • 553-86-6_1hnmr

    1H NMR 399.65 MHz
    C8 H6 O2 0.037 g : 0.5 ml CDCl3
    2(3H)-benzofuranone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.30 B 7.28 C 7.135 D 7.090 E 3.726

         Hz     ppm     Int.
    

       2927.49   7.326     50
       2926.64   7.324    101
       2926.03   7.322     94
       2925.17   7.320    116
       2924.32   7.318     62
       2918.46   7.303    219
       2918.09   7.302    229
       2917.60   7.301    263
       2917.11   7.300    252
       2916.26   7.298    212
       2915.65   7.296    212
       2915.04   7.294    226
       2914.18   7.292    204
       2912.48   7.288     90
       2910.52   7.283    164
       2909.67   7.281    263
       2908.20   7.277    266
       2907.35   7.275    297
       2858.89   7.154    205
       2857.79   7.151    222
       2851.32   7.135    319
       2850.34   7.133    332
       2843.75   7.116    142
       2842.77   7.114    145
       2838.13   7.102    273
       2837.52   7.101    329
       2837.04   7.099    299
       2830.08   7.082    237
       2829.47   7.080    284
       1489.14   3.727   1000
    

in CDCl3

  • 553-86-6_13cnmr

KBr disc

  • 553-86-6_ir1_2

nujol mull

  • 553-86-6_ir2

  • 553-86-6_raman