7-NITRO-QUINOLINE(613-51-4) IR1

Product Name7-NITRO-QUINOLINE

CAS 613-51-4

Molecular FormulaC9H6N2O2

Molecular Weight174.16

InChIInChI=1S/C9H6N2O2/c12-11(13)8-4-3-7-2-1-5-10-9(7)6-8/h1-6H

InChIKey MXKZSCXYMSXOAO-UHFFFAOYSA-N

SmilesN1C2C(=CC=C([N+]([O-])=O)C=2)C=CC=1

Request For Quotation

¹HNMR

IR1

IR2

Mass

MS-IW-4236          
7-nitroquinoline
C9H6N2O2            (Mass of molecular ion:    174)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      28.0       1.4
      30.0       1.4
      39.0       1.6
      50.0       3.8
      51.0       7.9
      52.0       1.2
      62.0       1.6
      63.0       3.4
      74.0       4.3
      75.0      11.4
      76.0       3.3
      77.0      15.5
      78.0       1.7
      89.0       4.6
      99.0       1.3
     100.0       3.2
     101.0      35.9
     102.0      10.6
     116.0      20.8
     117.0       2.3
     127.0       4.8
     128.0      88.8
     129.0       9.3
     144.0       4.4
     174.0     100.0
     175.0      11.0

parameter in acetone

¹H NMR	300 MHz
C₉ H₆ N₂ O₂	0.050 g : 1 ml acetone
7-nitroquinoline

    Parameter     ppm  Hz

      D(A)         9.094
      D(B)         7.717
      D(C)         8.495
      D(D)         8.208
      D(E)         8.321
      D(F)         8.836
       J(A,B)          4.27
       J(A,C)          1.78
       J(A,D)          0.0
       J(A,E)          0.0
       J(A,F)          0.0
       J(B,C)          8.41
       J(B,D)          0.0
       J(B,E)          0.0
       J(B,F)          0.0
       J(C,D)          0.0
       J(C,E)          0.0
       J(C,F)          0.5
       J(D,E)          8.99
       J(D,F)          0.5
       J(E,F)          2.33
     
     BLACK,P.J. & HEFFERNAN,M.L. AUST.J.CHEM. 17, 558 (1964)

     Hz     ppm     Int.

   2731.23   9.104    598
   2729.47   9.098    619
   2726.97   9.090    621
   2725.21   9.084    621
   2651.96   8.840    801
   2649.67   8.832    820
   2553.51   8.512    427
   2552.06   8.507    422
   2545.08   8.484    455
   2543.65   8.479    452
   2502.52   8.342    454
   2500.24   8.334    434
   2493.54   8.312    754
   2491.25   8.304    741
   2466.49   8.222    999
   2466.14   8.220   1000
   2457.52   8.192    589
   2457.15   8.190    584
   2321.35   7.738    611
   2317.08   7.724    603
   2312.96   7.710    573
   2308.68   7.696    558

KBr disc