ChemicalBook
English   Japanese   Germany   Korea

538-62-5

苯基富马酸(538-62-5)质谱(MS)

产品名称:苯基富马酸

CAS:538-62-5

分子式:C13H12N4O

分子量: 240.26

InChI:InChI=1S/C13H12N4O/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14H,(H,16,18)

InChIKey: ZFWAHZCOKGWUIT-UHFFFAOYSA-N

Smiles:N(C(NNC1=CC=CC=C1)=O)=NC1=CC=CC=C1

  • 图谱
    Mass

    MS-NW-2099          
    1,5-diphenylcarbazone
    C13H12N4O           (Mass of molecular ion:    240)
    

       Source Temperature: 180 °C
       Sample Temperature: 180 °C
       Direct, 75 eV
    

          14.0       1.0
          17.0       2.2
          18.0      11.3
          26.0       1.7
          27.0       5.0
          28.0      28.8
          29.0       3.1
          37.0       2.5
          38.0       4.8
          39.0      14.0
          40.0       2.8
          41.0       2.6
          42.0       3.0
          43.0      15.1
          44.0       4.7
          46.5       2.0
          50.0       9.1
          51.0      23.6
          52.0       9.9
          53.0       1.8
          54.0       2.2
          61.0       1.1
          62.0       1.6
          63.0       5.0
          64.0       4.1
          65.0      24.7
          66.0      19.3
          67.0       2.5
          74.0       2.4
          75.0       1.5
          76.0       3.8
          77.0     100.0
          78.0      37.3
          79.0       3.1
          80.0       1.1
          83.5       1.8
          91.0       5.3
          92.0      49.8
          93.0      74.6
          94.0       5.8
         103.0       1.8
         105.0      28.8
         106.0      17.9
         107.0      25.6
         108.0       3.2
         115.0       1.0
         118.0       1.5
         119.0       4.5
         120.0       2.1
         134.0      26.6
         135.0       3.0
         141.0       1.1
         152.0       1.3
         153.0       1.9
         154.0       3.7
         166.0       1.3
         167.0       7.0
         168.0      11.9
         169.0      25.0
         170.0       3.4
         182.0       1.0
         210.0       1.6
         240.0       4.6
         245.0       1.5
    

400 MHz in DMSO-d6

  • 图谱

    1H NMR 399.65 MHz
    C13 H12 N4 O 0.032 g : 0.5 ml DMSO-d6
    1,5-diphenylcarbazone
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 8.28 B *1 7.53 C 7.143 D 6.73 E 6.70

         Hz     ppm     Int.
    

       3307.74   8.277    181
       3011.47   7.536    263
       2869.63   7.181     29
       2864.26   7.167    296
       2862.67   7.163    405
       2855.47   7.145    745
       2848.39   7.128    442
       2847.05   7.124    435
       2702.88   6.764     23
       2693.24   6.739    631
       2685.42   6.720   1000
       2680.79   6.708    331
       2677.12   6.699    580
       2676.03   6.696    496
       2672.24   6.687    132
       2670.04   6.681    189
       2664.79   6.668     32
    

in DMSO-d6

  • 图谱

KBr disc

  • 图谱

nujol mull

  • 图谱

×