1-萘乙酸甲酯(2876-78-0)Raman光譜

產(chǎn)品名稱:1-萘乙酸甲酯

CAS:2876-78-0

分子式:C13H12O2

分子量: 200.23

InChI:InChI=1S/C13H12O2/c1-15-13(14)9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8H,9H2,1H3

InChIKey: YGGXZTQSGNFKPJ-UHFFFAOYSA-N

Smiles:C1(CC(OC)=O)=C2C(C=CC=C2)=CC=C1

Mass

MS-NW-5866          
methyl 1-naphthylacetate
C13H12O2            (Mass of molecular ion:    200)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       3.0
      39.0       2.0
      50.0       1.0
      51.0       1.4
      57.5       2.6
      59.0       1.4
      62.0       1.4
      63.0       3.1
      65.0       1.1
      69.5       1.1
      70.5       2.9
      74.0       1.0
      75.0       1.1
      87.0       1.0
      89.0       1.9
     113.0       1.1
     115.0      16.1
     116.0       1.7
     128.0       1.0
     139.0       7.4
     140.0       3.0
     141.0     100.0
     142.0      11.6
     200.0      45.6
     201.0       6.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₁₂ O₂	0.05 ml : 0.5 ml CDCl₃
methyl 1-naphthylacetate

    Assign.     Shift(ppm)

      A             7.949
      B             7.790
      C             7.722
      D             7.473
      E             7.426
      F             7.36
      G             7.34
      J             4.002
      K             3.590
     
     ASSIGNED BY C-H COSY

     Hz     ppm     Int.

   3181.64   7.962     97
   3180.91   7.960    106
   3173.34   7.941    109
   3172.49   7.939    110
   3118.41   7.803     96
   3117.68   7.802     94
   3117.07   7.800     85
   3110.47   7.783    115
   3109.01   7.780    105
   3090.94   7.735     75
   3088.99   7.730     77
   3083.62   7.716     74
   3081.67   7.711     83
   2996.09   7.497     55
   2994.63   7.494     60
   2989.26   7.480    106
   2987.79   7.477    127
   2986.21   7.473     55
   2980.96   7.459    105
   2979.37   7.455     92
   2974.73   7.444    102
   2973.39   7.440    107
   2967.90   7.427     66
   2966.55   7.423    124
   2965.45   7.421     96
   2959.84   7.407     55
   2958.62   7.404     50
   2950.32   7.383     67
   2943.24   7.365    200
   2936.04   7.347    291
   2934.94   7.344    211
   2930.05   7.332     49
   1599.37   4.002    575
   1434.81   3.591   1000

in CDCl3