20686-66-2

2-甲基萘并[2,3,D]氧氮杂茂(20686-66-2)质谱(MS)

产品名称:2-甲基萘并[2,3,D]氧氮杂茂

CAS:20686-66-2

分子式:C12H9NO

分子量: 183.21

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

InChIKey: WMIHEWJRNFUVNR-UHFFFAOYSA-N

Smiles:O1C2=CC3C(C=C2N=C1C)=CC=CC=3

¹HNMR

¹³CNMR

IR1

Mass

MS-KW-0198          
2-methylnaphth(2,3-d)oxazole
C12H9NO             (Mass of molecular ion:    183)

   Source Temperature: 140 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      51.0       1.1
      62.0       1.8
      63.0       3.8
      64.0       2.2
      77.0       1.4
      77.5       6.1
      87.0       1.4
      88.0       3.9
      91.5       4.9
     113.0       5.9
     114.0      24.3
     115.0       4.3
     127.0       1.3
     140.0       1.5
     141.0       1.2
     142.0       4.5
     154.0       2.3
     155.0       4.4
     182.0       1.6
     183.0     100.0
     184.0      13.7
     185.0       1.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₉ N O	0.038 g : 0.5 ml CDCl₃
2-methylnaphth(2,3-d)oxazole

    Assign.     Shift(ppm)

      A             8.058
      B     *1      7.948
      C     *1      7.891
      D             7.799
      E             7.44
      F             2.647

     Hz     ppm     Int.

   3220.34   8.058    205
   3180.79   7.959     63
   3178.34   7.953     31
   3177.49   7.951     35
   3174.19   7.943     61
   3171.75   7.937     63
   3171.39   7.936     63
   3158.57   7.904     58
   3158.20   7.903     58
   3155.88   7.897     59
   3152.34   7.888     34
   3151.61   7.886     31
   3149.17   7.880     68
   3116.94   7.800    215
   2986.33   7.473     39
   2981.32   7.460    105
   2979.49   7.456     97
   2978.27   7.453    126
   2974.98   7.444    235
   2971.68   7.436    112
   2970.46   7.433     92
   2968.63   7.429     96
   2963.75   7.416     32
   1058.11   2.648   1000

in CDCl3