13210-15-6

2-氯 -9H-黄原胶-9-酮(13210-15-6)质谱(MS)

产品名称:2-氯 -9H-黄原胶-9-酮

CAS:13210-15-6

分子式:C13H7ClO2

分子量: 230.65

InChI:InChI=1S/C13H7ClO2/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7H

InChIKey: PRWJZNITVOUZBU-UHFFFAOYSA-N

Smiles:C1(=O)C2=C(C=CC=C2)OC2=C1C=C(Cl)C=C2

¹HNMR

IR1

Mass

MS-NW-8099          
2-chloro-9-xanthenone
C13H7ClO2           (Mass of molecular ion:    230)

   Source Temperature: 200 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      17.0       1.0
      18.0       5.5
      28.0       1.0
      39.0       1.1
      50.0       2.6
      62.0       1.8
      63.0       6.4
      64.0       2.3
      69.0       5.4
      69.5       4.5
      74.0       2.8
      75.0       3.4
      76.0       1.6
      83.0       2.0
      86.5       1.0
      87.0       1.5
      89.0       1.5
      92.0       1.7
      97.0       2.7
      98.0       1.5
     101.0       3.0
     113.0       2.3
     115.0       2.0
     126.0       1.1
     137.0       1.4
     138.0       3.1
     139.0      28.5
     140.0       3.7
     167.0       2.2
     168.0       3.4
     173.0       3.4
     175.0       1.1
     195.0       1.3
     196.0       8.7
     197.0       1.2
     202.0      26.0
     203.0       3.6
     204.0       8.4
     205.0       1.0
     229.0       2.4
     230.0     100.0
     231.0      15.2
     232.0      33.3
     233.0       4.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₃ H₇ Cl O₂	0.048 g : 0.5 ml CDCl₃
2-chloro-9-xanthenone

    Assign.     Shift(ppm)

      A             8.26
      B             8.24
      C             7.70
      D             7.60
      E             7.44
      F             7.39
      G             7.36
     
     CONFIRMED BY LAOCN PROGRAM.

     Hz     ppm     Int.

    746.88   8.340    195
    746.19   8.332    212
    745.06   8.320    230
    744.50   8.313    245
    739.31   8.255    587
    738.81   8.250    611
    736.75   8.227    726
    736.25   8.221    639
    700.06   7.817    113
    698.25   7.797    117
    693.38   7.743    157
    691.44   7.721    310
    689.81   7.703    237
    688.44   7.687    324
    685.88   7.659    262
    684.75   7.646    364
    683.69   7.634    100
    682.94   7.626    303
    679.50   7.588    654
    676.94   7.559    623
    671.25   7.495    207
    670.56   7.488    278
    669.88   7.480    452
    669.19   7.472    360
    666.75   7.445   1000
    666.25   7.440    810
    665.38   7.430    263
    662.63   7.399    198
    662.06   7.393    222
    661.25   7.384    155
    660.75   7.378    164
    660.06   7.371    209
    659.00   7.359    318
    657.88   7.346    429
    657.31   7.340    380
    652.13   7.282    168
    650.81   7.267    284

KBr disc