3,5-DIHYDROXYANISOLE HYDRATE(2174-64-3) ¹³C NMR

Product Name3,5-DIHYDROXYANISOLE HYDRATE

CAS 2174-64-3

Molecular FormulaC7H8O3

Molecular Weight140.14

InChIInChI=1S/C7H8O3/c1-10-7-3-5(8)2-6(9)4-7/h2-4,8-9H,1H3

InChIKey HDVRLUFGYQYLFJ-UHFFFAOYSA-N

SmilesC1(O)=CC(OC)=CC(O)=C1

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Mass

MS-NW-9929          
5-methoxyresorcinol
C7H8O3              (Mass of molecular ion:    140)

   Source Temperature: 130 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      18.0       1.0
      27.0       2.0
      28.0       1.1
      29.0       1.3
      38.0       1.5
      39.0       4.4
      40.0       1.0
      41.0       3.8
      42.0       2.0
      43.0       2.2
      50.0       1.5
      51.0       2.9
      53.0       3.1
      54.0       1.6
      55.0       4.7
      63.0       1.1
      65.0       2.4
      66.0       1.4
      68.0       2.6
      69.0      11.4
      70.0       1.8
      71.0       1.1
      79.0       3.0
      81.0       3.0
      82.0       6.9
      83.0       1.6
      93.0       4.5
      94.0       1.6
      95.0       1.8
      96.0       1.5
      97.0       5.4
     109.0       2.0
     110.0      23.7
     111.0      39.5
     112.0       2.8
     121.0       1.3
     139.0       7.8
     140.0     100.0
     141.0       8.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₈ O₃	0.039 g : 0.5 ml DMSO-d₆
5-methoxyresorcinol

    Assign.     Shift(ppm)

      A             9.20
      B             5.849
      C             5.807
      D             3.626

     Hz     ppm     Int.

   3675.23   9.197    847
   3670.96   9.186     22
   2339.94   5.855     90
   2337.95   5.850    186
   2335.82   5.845    144
   2321.93   5.810    459
   2319.79   5.805    351
   1449.28   3.627   1000

in DMSO-d6