501-94-0

對羥基苯乙醇(501-94-0)質(zhì)譜(MS)

產(chǎn)品名稱:對羥基苯乙醇

CAS:501-94-0

分子式:C8H10O2

分子量: 138.16

InChI:InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2

InChIKey: YCCILVSKPBXVIP-UHFFFAOYSA-N

Smiles:C1(CCO)=CC=C(O)C=C1

Mass

MS-IW-2150          
p-hydroxyphenethyl alcohol
C8H10O2             (Mass of molecular ion:    138)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      18.0       3.0
      27.0       1.6
      31.0       1.4
      39.0       2.9
      50.0       1.2
      51.0       3.0
      52.0       1.5
      53.0       2.5
      55.0       1.2
      63.0       1.3
      65.0       1.6
      77.0      10.7
      78.0       2.7
      79.0       2.3
      91.0       2.6
     107.0     100.0
     108.0       9.5
     119.0       1.0
     121.0       3.1
     122.0       1.9
     138.0      19.9
     139.0       1.7
     146.0       1.5
     161.0       1.0
     163.0       1.1
     181.0       1.3

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₈ H₁₀ O₂	0.031 g : 0.5 ml DMSO-d₆
p-hydroxyphenethyl alcohol

    Assign.     Shift(ppm)

      A             9.14
      B             6.993
      C             6.668
      D             4.59
      E             3.531
      F             2.607
     
     J(D,E)=5.2HZ

     Hz     ppm     Int.

   3652.95   9.141   1000
   2802.28   7.012     51
   2799.53   7.005    493
   2797.39   7.000    170
   2793.12   6.989    176
   2790.99   6.984    555
   2788.09   6.977     74
   2671.66   6.686     78
   2668.91   6.679    705
   2666.78   6.673    213
   2662.35   6.662    196
   2660.37   6.657    614
   2657.47   6.650     72
   1840.52   4.606    248
   1835.33   4.593    564
   1829.99   4.579    259
   1421.51   3.557    196
   1416.17   3.544    205
   1414.34   3.539    359
   1409.15   3.526    364
   1407.01   3.521    224
   1401.67   3.508    209
   1049.19   2.626    281
   1042.02   2.608    515
   1034.70   2.590    263

KBr disc