120-47-8

尼泊金乙酯(120-47-8)質(zhì)譜(MS)

產(chǎn)品名稱:尼泊金乙酯

CAS:120-47-8

分子式:C9H10O3

分子量: 166.17

InChI:InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3

InChIKey: NUVBSKCKDOMJSU-UHFFFAOYSA-N

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

Mass

MS-NW-3811          
ethyl p-hydroxybenzoate
C9H10O3             (Mass of molecular ion:    166)

   Source Temperature: 270 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      27.0       4.4
      29.0       4.0
      38.0       2.1
      39.0      11.5
      50.0       1.0
      53.0       1.7
      62.0       1.2
      63.0       3.5
      64.0       2.5
      65.0      16.9
      66.0       1.5
      92.0       2.3
      93.0      15.0
      94.0       2.0
     109.0       1.0
     121.0     100.0
     122.0      11.5
     123.0       1.1
     138.0      21.2
     139.0       1.8
     151.0       1.5
     166.0      23.2
     167.0       2.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₀ O₃	0.057 g : 0.5 ml CDCl₃
ethyl p-hydroxybenzoate

    Assign.     Shift(ppm)

      A             7.954
      B             7.70
      C             6.926
      D             4.364
      E             1.386

     Hz     ppm     Int.

    719.75   8.037     65
    717.13   8.008    441
    715.00   7.984    135
    710.38   7.932    168
    708.19   7.908    503
    705.63   7.879     68
    690.00   7.705    390
    627.13   7.003     74
    624.44   6.973    525
    622.31   6.949    148
    617.63   6.897    147
    615.50   6.873    427
    612.75   6.842     59
    402.06   4.490    121
    401.94   4.488    121
    394.81   4.409    424
    387.69   4.329    446
    380.63   4.251    145
    131.13   1.465    463
    128.06   1.430     50
    127.75   1.427     50
    127.25   1.421     53
    124.06   1.386   1000
    121.69   1.359     63
    119.38   1.333     51
    116.88   1.306    418

in CDCl3