1,8-Naphthalic anhydride(81-84-5) MS

Product Name1,8-Naphthalic anhydride

CAS 81-84-5

Molecular FormulaC12H6O3

Molecular Weight198.17

InChIInChI=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

SmilesC1(=O)OC(=O)C2=CC=CC3=C2C1=CC=C3

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1,8-Naphthalic anhydride(81-84-5) MS
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

1,8-Naphthalic anhydride(81-84-5) MS

¹H NMR	399.65 MHz
C₁₂ H₆ O₃	saturated in DMSO-d₆
1,8-naphthalenedicarboxylic anhydride

    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