22568-11-2

trans-3-(2-nitrovinyl)pyridine(22568-11-2) IR1

Product Nametrans-3-(2-nitrovinyl)pyridine

CAS 22568-11-2

Molecular FormulaC7H6N2O2

Molecular Weight150.13474

InChIInChI=1S/C7H6N2O2/c10-9(11)5-3-7-2-1-4-8-6-7/h1-6H/b5-3+

InChIKey HIXBXAXEKNYDHU-HWKANZROSA-N

SmilesC1=NC=CC=C1/C=C/[N+]([O-])=O

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¹HNMR

IR1

IR2

trans-3-(2-nitrovinyl)pyridine(22568-11-2) IR1
Mass

MS-IW-7456          
trans-3-(2-nitrovinyl)pyridine
C7H6N2O2            (Mass of molecular ion:    150)

   Source Temperature: 150 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      26.0       1.9
      27.0       3.7
      28.0       4.8
      30.0       3.7
      37.0       2.6
      38.0       5.1
      39.0      11.0
      40.0       1.4
      41.0       1.5
      49.0       1.9
      50.0      25.0
      51.0      66.8
      52.0       8.5
      53.0       4.5
      54.0       6.0
      61.0       1.5
      62.0       2.6
      63.0       6.6
      64.0       3.8
      65.0      20.8
      66.0       3.7
      67.0       6.3
      68.0       4.4
      69.0       1.3
      70.0       1.5
      74.0       5.5
      75.0       7.3
      76.0      17.6
      77.0      43.2
      78.0      43.0
      79.0       6.8
      80.0       4.7
      81.0      10.3
      82.0       3.3
      91.0       3.0
      92.0      16.3
      93.0       3.2
      94.0       3.3
      95.0       3.2
      96.0       1.1
      97.0       1.0
     102.0      10.1
     103.0      56.3
     104.0      22.1
     105.0       4.8
     106.0       8.4
     107.0       5.3
     108.0       1.1
     118.0       2.4
     119.0       1.7
     120.0       6.5
     121.0       3.0
     122.0       1.7
     123.0       1.8
     133.0       8.2
     134.0       1.0
     149.0       1.5
     150.0     100.0
     151.0       9.6

400 MHz in DMSO-d6

trans-3-(2-nitrovinyl)pyridine(22568-11-2) IR1

¹H NMR	399.65 MHz
C₇ H₆ N₂ O₂	0.040 g : 0.5 ml DMSO-d₆
trans-3-(2-nitrovinyl)pyridine

    Assign.     Shift(ppm)

      A             9.024
      B             8.705
      C             8.356
      D             8.319
      E             8.199
      F             7.545
     
     J(C,E)=13.8HZ

     Hz     ppm     Int.

   3607.54   9.027    458
   3605.59   9.022    451
   3482.06   8.713    326
   3480.59   8.710    346
   3477.29   8.701    342
   3475.71   8.697    335
   3347.78   8.377    661
   3333.98   8.343   1000
   3330.93   8.335    228
   3329.10   8.331    325
   3327.39   8.326    206
   3327.03   8.325    204
   3322.88   8.315    227
   3321.17   8.311    341
   3319.34   8.306    204
   3282.23   8.213    681
   3268.43   8.179    449
   3021.36   7.561    267
   3016.60   7.549    270
   3013.43   7.541    261
   3008.54   7.528    247

KBr disc

nujol mull

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