2459-24-7

1-萘甲酸甲酯(2459-24-7)质谱(MS)

产品名称:1-萘甲酸甲酯

CAS:2459-24-7

分子式:C12H10O2

分子量: 186.21

InChI:InChI=1S/C12H10O2/c1-14-12(13)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3

InChIKey: HMRROBKAACRWBP-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-8197          
methyl 1-naphthoate
C12H10O2            (Mass of molecular ion:    186)

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

      50.0       2.0
      51.0       3.1
      62.0       1.1
      63.0       5.7
      63.5       6.3
      64.0       1.1
      74.0       3.2
      75.0       4.6
      76.0       2.3
      77.0       6.9
      77.5       2.4
      87.0       1.2
      98.0       1.1
     101.0       4.6
     114.0       1.2
     115.0       1.7
     125.0       1.2
     126.0      12.0
     127.0      72.7
     128.0      10.0
     141.0       1.2
     154.0       1.8
     155.0     100.0
     156.0      12.7
     171.0       1.1
     186.0      67.1
     187.0       8.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₁₀ O₂	0.05 ml : 0.5 ml CDCl₃
methyl 1-naphthoate

    Assign.     Shift(ppm)

      A             8.928
      B             8.130
      C             7.916
      D             7.793
      E             7.566
      F             7.460
      G             7.398
      J             3.929

     Hz     ppm     Int.

   3572.85   8.940     81
   3572.24   8.939     81
   3564.15   8.919     85
   3563.39   8.917     86
   3253.94   8.142     95
   3252.56   8.139    100
   3246.61   8.124    103
   3245.39   8.121    106
   3168.03   7.928     81
   3159.79   7.907     89
   3118.74   7.804     73
   3110.50   7.784     84
   3032.68   7.589     44
   3031.31   7.585     46
   3025.97   7.572     64
   3024.29   7.568     84
   3022.61   7.564     47
   3017.27   7.550     63
   3015.75   7.546     59
   2989.04   7.480     64
   2987.98   7.477     66
   2982.18   7.462     54
   2980.96   7.459     98
   2979.74   7.456     63
   2974.09   7.442     45
   2973.02   7.440     43
   2964.17   7.417     99
   2956.85   7.399    111
   2956.09   7.397    111
   2948.76   7.379     91
   1570.28   3.930   1000

in CDCl3