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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>81-84-5更多圖譜> 1,8-萘二甲酸酐(81-84-5)質(zhì)譜(MS)

81-84-5

1,8-萘二甲酸酐(81-84-5)質(zhì)譜(MS)

產(chǎn)品名稱:1,8-萘二甲酸酐

CAS:81-84-5

分子式:C12H6O3

分子量: 198.17

InChI:InChI=1S/C12H6O3/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(14)15-11/h1-6H

InChIKey: GRSMWKLPSNHDHA-UHFFFAOYSA-N

Smiles:C1(=O)OC(=O)C2=CC=CC3=C2C1=CC=C3

  • 圖譜
    Mass 

    MS-NW-0628          
1,8-naphthalenedicarboxylic anhydride
C12H6O3             (Mass of molecular ion:    198)


       Source Temperature: 180 °C
   Sample Temperature: 160 °C
   Direct, 75 eV


          18.0       3.5
      28.0       2.4
      37.0       1.2
      38.0       1.2
      39.0       2.4
      49.0       1.1
      50.0       8.0
      51.0       2.8
      52.0       1.3
      61.0       3.2
      62.0       4.2
      63.0      16.2
      63.5       1.3
      73.0       1.1
      74.0      11.2
      75.0       6.8
      76.0      10.7
      77.0       6.0
      85.0       1.1
      86.0       2.7
      87.0       5.2
      88.0       1.1
      98.0       4.5
      99.0       4.2
     100.0       4.3
     114.0       1.1
     125.0       3.4
     126.0      78.0
     127.0       8.9
     154.0     100.0
     155.0      12.2
     198.0      59.9
     199.0       7.9

400 MHz in DMSO-d6

  • 圖譜

    1H NMR 399.65 MHz
    C12 H6 O3 saturated in DMSO-d6
    1,8-naphthalenedicarboxylic anhydride
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             8.54
      B             8.52
      C             7.916
     
     ASSIGNED BY C-H COSY.
  

         Hz     ppm     Int.


       3415.53   8.547    711
   3413.39   8.541    686
   3407.14   8.526    913
   3406.07   8.523   1000
   3399.35   8.506     30
   3397.98   8.503     28
   3397.37   8.501     28
   3397.06   8.501     28
   3396.76   8.500     28
   3396.30   8.499     31
   3395.84   8.498     28
   3171.23   7.936    472
   3163.45   7.916    715
   3155.67   7.897    419

in DMSO-d6

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

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