607-90-9

柳酸丙酯(607-90-9)核磁图(¹³CNMR)

产品名称:柳酸丙酯

CAS:607-90-9

分子式:C10H12O3

分子量: 180.2

InChI:InChI=1S/C10H12O3/c1-2-7-13-10(12)8-5-3-4-6-9(8)11/h3-6,11H,2,7H2,1H3

InChIKey: LZFIOSVZIQOVFW-UHFFFAOYSA-N

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

Mass

MS-NW-0814          
propyl salicylate
C10H12O3            (Mass of molecular ion:    180)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       3.7
      28.0       1.0
      38.0       1.3
      39.0       8.0
      41.0       4.8
      43.0       4.6
      53.0       1.9
      63.0       3.6
      64.0       4.3
      65.0      10.4
      92.0      20.4
      93.0       6.2
     120.0     100.0
     121.0      26.2
     122.0       2.3
     138.0      15.7
     139.0       1.3
     180.0      20.9
     181.0       2.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₂ O₃	0.05 ml : 0.5 ml CDCl₃
propyl salicylate

    Assign.     Shift(ppm)

      A            10.86
      B             7.832
      C             7.418
      D             6.959
      E             6.848
      F             4.281
      G             1.785
      J             1.021

     Hz     ppm     Int.

   4340.66  10.862    668
   3135.38   7.846    194
   3135.07   7.845    194
   3133.70   7.842    197
   3133.24   7.840    197
   3127.44   7.826    201
   3126.98   7.825    201
   3125.61   7.821    201
   3125.31   7.821    201
   2972.41   7.438     98
   2971.04   7.435     99
   2965.24   7.420    121
   2964.02   7.417    173
   2962.65   7.414    120
   2956.85   7.399    114
   2955.47   7.396    108
   2785.95   6.971    223
   2785.19   6.970    232
   2784.73   6.968    215
   2777.56   6.950    207
   2776.79   6.949    210
   2776.34   6.947    196
   2745.06   6.869    171
   2743.99   6.866    161
   2737.88   6.851    186
   2737.12   6.849    217
   2735.90   6.846    178
   2729.95   6.831    151
   2728.73   6.828    152
   1717.83   4.299    433
   1711.12   4.282    787
   1704.41   4.265    442
    731.35   1.830     55
    724.64   1.814    132
    723.88   1.812    186
    717.16   1.795    342
    716.55   1.793    247
    709.84   1.777    353
    703.13   1.760    188
    702.51   1.758    147
    695.80   1.742     59
    415.19   1.039    610
    407.87   1.021   1000
    400.24   1.002    543

in CDCl3