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返回ChemicalBook首页>CAS数据库列表>6638-64-8更多图谱> 7-硝基-3,4-苯并香豆素(6638-64-8)质谱(MS)

6638-64-8

7-硝基-3,4-苯并香豆素(6638-64-8)质谱(MS)

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

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    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

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

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KBr disc

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nujol mull

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