16498-20-7

2,3-Dihydro-6-nitro-1,4-benzodioxin(16498-20-7) ¹³C NMR

Product Name2,3-Dihydro-6-nitro-1,4-benzodioxin

CAS 16498-20-7

Molecular FormulaC8H7NO4

Molecular Weight181.15

InChIInChI=1S/C8H7NO4/c10-9(11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5H,3-4H2

InChIKey MQSGCURTKWHBRX-UHFFFAOYSA-N

SmilesO1C2=CC=C([N+]([O-])=O)C=C2OCC1

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¹HNMR

¹³CNMR

2,3-Dihydro-6-nitro-1,4-benzodioxin(16498-20-7) <sup>13</sup>C NMR
Mass

MS-KW-0729          
6-nitro-1,4-benzodioxane
C8H7NO4             (Mass of molecular ion:    181)

   Source Temperature: 250 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      26.0       1.8
      27.0       3.7
      28.0       5.0
      29.0       1.0
      30.0       3.4
      37.0       1.0
      38.0       1.7
      39.0       3.7
      41.0       1.3
      43.0       2.1
      49.0       1.2
      50.0      10.2
      51.0      33.9
      52.0       3.1
      53.0       6.1
      55.0       3.8
      61.0       1.0
      62.0       2.9
      63.0       6.5
      67.0       2.9
      69.0       1.3
      74.0       2.9
      75.0       2.9
      77.0       6.7
      78.0       2.6
      79.0      30.1
      80.0       2.3
      91.0       1.6
      92.0       1.0
      95.0       1.5
     105.0       3.6
     107.0      46.0
     108.0       3.4
     120.0       3.4
     123.0       1.0
     134.0       1.3
     135.0      25.2
     136.0       2.3
     151.0      18.5
     152.0       1.7
     165.0       2.2
     166.0       2.8
     181.0     100.0
     182.0       9.6
     183.0       1.2

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