6638-64-8

7-硝基-3,4-苯并香豆素(6638-64-8)核磁图(¹³CNMR)

产品名称:7-硝基-3,4-苯并香豆素

CAS:6638-64-8

分子式:C13H7NO4

分子量: 241.2

InChI:InChI=1S/C13H7NO4/c15-13-11-4-2-1-3-9(11)10-6-5-8(14(16)17)7-12(10)18-13/h1-7H

InChIKey: KWGYGQPIDANWAX-UHFFFAOYSA-N

Smiles:C12=CC([N+]([O-])=O)=CC=C1C1=CC=CC=C1C(=O)O2

Mass

MS-NW-6747          
3-nitrobenzo(c)chromen-6-one
C13H7NO4            (Mass of molecular ion:    241)

   Source Temperature: 110 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      18.0       2.0
      27.0       1.0
      28.0       1.0
      30.0       6.0
      37.0       1.4
      38.0       3.1
      39.0       7.1
      46.0       1.0
      50.0       6.3
      51.0       5.9
      52.0       1.0
      53.0       1.9
      55.0       1.4
      56.0       1.1
      56.5       1.9
      61.0       3.2
      62.0       9.0
      63.0      17.7
      64.0       1.9
      65.0       3.7
      69.0       3.2
      69.5      20.8
      70.0       2.9
      73.0       1.1
      74.0       9.3
      75.0       9.2
      76.0       2.6
      77.0       3.3
      83.0       1.0
      85.0       2.7
      86.0       8.4
      87.0      11.2
      88.0       5.7
      89.0      14.2
      90.0       1.3
      91.0       2.6
      92.0       2.0
      97.5       1.6
      98.0       4.7
      99.0       3.3
     100.0       1.7
     101.0       6.9
     102.0       1.1
     109.0       1.1
     110.0       3.0
     111.0       4.1
     112.0       2.2
     113.0      11.3
     114.0       2.3
     126.0       3.7
     127.0      14.9
     128.0       1.9
     129.0       1.8
     137.0       7.7
     138.0      12.7
     139.0     100.0
     140.0      13.1
     155.0      10.3
     156.0       1.5
     166.0       1.4
     167.0      57.3
     168.0       8.1
     183.0      46.3
     184.0       6.6
     195.0      10.7
     196.0       1.9
     211.0       9.1
     212.0       1.6
     225.0       1.1
     241.0      99.0
     242.0      15.0
     243.0       2.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₃ H₇ N O₄	0.038 g : 0.5 mlSO-D6
3-nitrobenzo(c)chromen-6-one

    Assign.     Shift(ppm)

      A             8.588
      B             8.498
      C             8.297
      D             8.169
      E             8.158
      F             8.021
      G             7.812

     Hz     ppm     Int.

   3437.38   8.601    535
   3434.08   8.593    126
   3431.27   8.586    107
   3427.86   8.578    594
   3400.51   8.509    406
   3392.33   8.489    439
   3320.56   8.309    362
   3319.70   8.307    397
   3312.62   8.289    392
   3311.77   8.287    428
   3269.29   8.181    312
   3266.97   8.175    632
   3263.06   8.165    696
   3260.86   8.160   1000
   3259.77   8.157    888
   3257.57   8.152    193
   3214.11   8.043    226
   3212.77   8.039    246
   3206.79   8.024    340
   3206.05   8.023    365
   3205.44   8.021    397
   3198.73   8.004    260
   3197.39   8.001    260
   3129.76   7.832    291
   3128.66   7.829    307
   3121.83   7.812    451
   3121.46   7.811    456
   3114.50   7.794    231
   3113.53   7.791    234

in DMSO-d6