85-15-4

2-甲基-beta-萘并唑(85-15-4)质谱(MS)

产品名称:2-甲基-beta-萘并唑

CAS:85-15-4

分子式:C12H9NO

分子量: 183.21

InChI:InChI=1S/C12H9NO/c1-8-13-12-10-5-3-2-4-9(10)6-7-11(12)14-8/h2-7H,1H3

InChIKey: JCTNVNANPZAULC-UHFFFAOYSA-N

Smiles:O1C2=CC=C3C(=C2N=C1C)C=CC=C3

¹HNMR

¹³CNMR

IR1

Mass

MS-KW-0162          
2-methylnaphth(1,2-d)oxazole
C12H9NO             (Mass of molecular ion:    183)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      39.0       1.5
      43.0       1.0
      50.0       1.5
      51.0       2.2
      57.0       1.2
      62.0       3.3
      63.0       6.2
      64.0       3.7
      71.0       1.5
      74.0       1.7
      75.0       2.4
      76.0       1.3
      76.5       1.2
      77.0       3.5
      77.5       7.3
      78.0       1.1
      86.0       1.7
      87.0       2.6
      88.0       6.6
      91.5       6.8
     101.0       1.2
     113.0       9.6
     114.0      26.7
     115.0       4.8
     127.0       2.9
     128.0      11.1
     129.0       1.7
     140.0       2.0
     153.0       1.2
     154.0      21.0
     155.0      12.1
     156.0       1.4
     182.0      12.9
     183.0     100.0
     184.0      13.5
     185.0       1.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₉ N O	0.05 ml : 0.5 ml CDCl₃
2-methylnaphth(1,2-d)oxazole

    Assign.     Shift(ppm)

      A             8.431
      B             7.810
      C             7.57
      D     *1      7.56
      E             7.463
      F     *1      7.411
      G             2.576

     Hz     ppm     Int.

   3374.88   8.445    133
   3374.15   8.443    128
   3373.66   8.442    134
   3366.58   8.424    138
   3365.84   8.422    135
   3365.36   8.421    140
   3125.00   7.820    138
   3116.82   7.799    150
   3030.64   7.584    218
   3024.78   7.569    132
   3023.56   7.566    193
   3022.09   7.562    274
   3016.48   7.548    103
   3015.26   7.545     99
   2986.33   7.473    334
   2977.42   7.451    240
   2969.73   7.431    115
   2968.38   7.428    119
   2962.77   7.414    105
   2961.43   7.411    178
   2960.21   7.408    116
   2954.59   7.393     85
   2953.25   7.390     86
   1029.79   2.577   1000

in CDCl3