水楊酸乙酯(118-61-6)核磁圖(¹³CNMR)

產(chǎn)品名稱:水楊酸乙酯

CAS:118-61-6

分子式:C9H10O3

分子量: 166.17

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

InChIKey: GYCKQBWUSACYIF-UHFFFAOYSA-N

Smiles:C(OCC)(=O)C1=CC=CC=C1O

Mass

MS-NW-0533          
ethyl salicylate
C9H10O3             (Mass of molecular ion:    166)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      26.0       1.1
      27.0       5.1
      28.0       1.5
      29.0       4.5
      38.0       2.2
      39.0      10.7
      53.0       2.4
      62.0       1.1
      63.0       4.7
      64.0       6.8
      65.0      11.7
      66.0       1.0
      81.0       1.1
      92.0      33.9
      93.0       7.3
     120.0     100.0
     121.0      25.4
     122.0       2.2
     138.0       1.5
     166.0      36.7
     167.0       3.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₀ O₃	0.05 ml : 0.5 ml CDCl₃
ethyl salicylate

    Assign.     Shift(ppm)

      A            10.9
      B             7.830
      C             7.418
      D             6.96
      E             6.85
      F             4.380
      G             1.394

     Hz     ppm     Int.

    972.07  10.854    675
    971.70  10.850    549
    706.49   7.889    135
    705.98   7.883    121
    704.66   7.869    144
    698.58   7.801    161
    696.75   7.780    170
    673.97   7.526     59
    672.22   7.506     54
    666.94   7.447     92
    666.80   7.446     92
    665.19   7.428    131
    663.72   7.411     87
    658.45   7.353    117
    656.62   7.332     99
    627.91   7.012    162
    627.39   7.006    184
    626.66   6.998    227
    623.80   6.966     30
    621.09   6.935    178
    619.78   6.921    181
    619.04   6.913    155
    618.24   6.904    153
    614.06   6.857    150
    613.26   6.848    172
    612.01   6.834    111
    606.15   6.769     94
    604.91   6.755     78
    403.42   4.505    143
    396.24   4.425    462
    389.06   4.345    483
    382.03   4.266    169
    131.84   1.473    504
    129.13   1.442     44
    124.73   1.393   1000
    122.46   1.368     47
    121.88   1.361     43
    121.51   1.357     43
    117.55   1.313    450

in CDCl3