乙酸-2-甲氧基苯酯(613-70-7)核磁圖(¹³CNMR)

產(chǎn)品名稱:乙酸-2-甲氧基苯酯

CAS:613-70-7

分子式:C9H10O3

分子量: 166.17

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

InChIKey: BHJHPYFAYGAPLS-UHFFFAOYSA-N

Smiles:C1(OC(=O)C)=CC=CC=C1OC

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-8997          
o-methoxyphenyl acetate
C9H10O3             (Mass of molecular ion:    166)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       2.3
      26.0       1.2
      27.0       1.2
      28.0       1.3
      38.0       1.1
      39.0       2.5
      41.0       2.2
      42.0       1.5
      43.0      19.0
      50.0       1.9
      51.0       3.6
      52.0       6.5
      53.0       2.6
      63.0       2.1
      64.0       1.1
      65.0       3.2
      77.0       2.9
      80.0       1.6
      81.0      11.9
      95.0       2.2
     109.0      55.0
     110.0       3.8
     124.0     100.0
     125.0       7.8
     166.0       8.4
     167.0       1.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₀ O₃	0.05 ml : 0.5 ml CDCl₃
o-methoxyphenyl acetate

    Assign.     Shift(ppm)

      A             7.175
      B             7.020
      C             6.945
      D             6.926
      E             3.791
      F             2.285

     Hz     ppm     Int.

   2876.95   7.199     60
   2875.24   7.195     64
   2869.63   7.181     80
   2868.65   7.178     89
   2867.92   7.177     89
   2867.07   7.174     85
   2861.33   7.160     84
   2859.62   7.156     86
   2811.28   7.035     98
   2809.57   7.031    103
   2803.47   7.015    149
   2801.64   7.011    142
   2780.40   6.958     99
   2779.17   6.955    134
   2774.90   6.944    124
   2773.56   6.940     85
   2772.22   6.937     94
   2770.87   6.934    114
   2767.46   6.925    135
   2766.11   6.922     98
   2759.64   6.906     66
   2758.30   6.902     55
   1515.01   3.791    900
    913.21   2.286   1000

in CDCl3