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504-15-4

Orcinol

Product Name Orcinol

CAS504-15-4

MFC7H8O2

MW124.14

More

  • 504-15-4_ms
    Mass

    MS-NW-0291          
    5-methylresorcinol
    C7H8O2 H2O          (Mass of molecular ion:    124)
    

       Source Temperature: 150 °C
       Sample Temperature:   0 °C
       Direct, 75 eV
    

          17.0       1.4
          18.0       7.3
          27.0       3.3
          29.0       1.2
          38.0       2.1
          39.0       6.4
          40.0       1.3
          41.0       4.4
          43.0       4.5
          50.0       2.1
          51.0       4.6
          52.0       1.9
          53.0       2.6
          55.0       5.2
          62.0       3.1
          63.0       1.3
          65.0       2.0
          66.0       1.8
          67.0       5.6
          69.0       6.0
          77.0       5.0
          78.0       4.3
          79.0       1.1
          81.0       3.4
          83.0       1.2
          84.0       1.1
          85.0       1.8
          95.0      11.1
          96.0       2.2
         105.0       1.8
         106.0       3.0
         107.0       6.4
         123.0      49.5
         124.0     100.0
         125.0       7.7
    

90 MHz in D2O

90 MHz in DMSO-d6

  • 504-15-4_1hnmr_2

    1H NMR 89.56 MHz
    C7 H8 O2 0.038 g : 0.5 ml D2O
    5-methylresorcinol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.36 B 6.28 D 2.242 THE SOLVENT SIGNAL REMOVED.

         Hz     ppm     Int.
    

        570.75   6.373    215
        570.06   6.366    209
        568.81   6.352    393
        568.19   6.345    333
        564.25   6.301    148
        563.69   6.294    155
        562.38   6.280    139
        561.81   6.274    142
        561.19   6.267    102
        559.88   6.252     51
        559.25   6.245     38
        201.00   2.245   1000
        198.06   2.212     38
    

  • 504-15-4_1hnmr

    1H NMR 89.56 MHz
    C7 H8 O2 0.045 g : 0.5 ml DMSO-d6
    5-methylresorcinol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.04 B 6.03 C 2.111 HSP-04-857 : D2O

         Hz     ppm     Int.
    

        809.44   9.038    733
        540.19   6.032   1000
        539.56   6.025    993
        533.56   5.958     30
        533.00   5.952     26
        189.38   2.115    938
        188.94   2.110    920
        183.06   2.044     33
        181.63   2.029     24
    

in D2O

  • 504-15-4_13cnmr

KBr disc

  • 504-15-4_ir1_2

nujol mull

  • 504-15-4_ir2