1083-48-3

4-(4-Nitrobenzyl)pyridine(1083-48-3) Raman

Product Name4-(4-Nitrobenzyl)pyridine

CAS 1083-48-3

Molecular FormulaC12H10N2O2

Molecular Weight214.22

InChIInChI=1S/C12H10N2O2/c15-14(16)12-3-1-10(2-4-12)9-11-5-7-13-8-6-11/h1-8H,9H2

InChIKey MNHKUCBXXMFQDM-UHFFFAOYSA-N

SmilesC1=NC=CC(CC2=CC=C([N+]([O-])=O)C=C2)=C1

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4-(4-Nitrobenzyl)pyridine(1083-48-3) Raman
Mass

MS-NW-2324          
4-(p-nitrobenzyl)pyridine
C12H10N2O2          (Mass of molecular ion:    214)

   Source Temperature: 210 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       3.6
      27.0       1.5
      28.0       2.8
      30.0       3.9
      38.0       1.5
      39.0       9.7
      50.0       5.0
      51.0      10.1
      52.0       2.5
      54.0       2.3
      57.5       2.5
      62.0       2.6
      63.0       8.5
      64.0       2.6
      65.0       7.1
      69.5       1.3
      70.5       1.5
      74.0       1.7
      75.0       2.3
      76.0       1.9
      77.0       5.0
      78.0       4.8
      83.5       5.2
      84.0       1.6
      87.0       1.4
      88.0       1.1
      89.0       6.7
      90.0       2.9
      91.0       1.3
      92.0       2.7
     102.0       1.5
     106.0       2.3
     107.0       2.6
     113.0       1.4
     114.0       1.7
     115.0      10.7
     116.0       2.1
     117.0       1.6
     127.0       2.0
     128.0       3.2
     129.0       1.7
     139.0      11.1
     140.0       7.3
     141.0       7.5
     142.0       1.3
     154.0       2.5
     155.0       1.3
     156.0       7.2
     157.0       1.1
     166.0      10.2
     167.0      69.0
     168.0      45.1
     169.0       5.7
     183.0       1.3
     184.0       6.9
     197.0       4.6
     198.0       1.4
     213.0       2.5
     214.0     100.0
     215.0      14.0
     216.0       1.3

90 MHz in CDCl3

4-(4-Nitrobenzyl)pyridine(1083-48-3) Raman

¹H NMR	89.56 MHz
C₁₂ H₁₀ N₂ O₂	0.046 g : 0.5 ml CDCl₃
4-(p-nitrobenzyl)pyridine

    Assign.     Shift(ppm)

      A             8.540
      B             8.163
      C             7.35
      D             7.11
      E             4.085

     Hz     ppm     Int.

    768.00   8.576    561
    766.38   8.558    361
    763.56   8.526    357
    761.94   8.508    642
    738.38   8.245     71
    735.94   8.218    603
    733.88   8.195    211
    729.19   8.142    205
    727.13   8.119    747
    724.69   8.092    106
    664.81   7.424     82
    664.13   7.416     63
    662.38   7.396    641
    660.31   7.373    195
    655.63   7.321    155
    653.50   7.297    568
    651.75   7.278     75
    651.13   7.271     78
    639.13   7.137    530
    638.50   7.130    363
    637.50   7.119    336
    634.75   7.088    309
    633.13   7.070    503
    365.88   4.086   1000

in CDCl3