6935-29-1

喹喔啉-N-氧化物(6935-29-1)红外图谱(IR1)

产品名称:喹喔啉-N-氧化物

CAS:6935-29-1

分子式:C8H6N2O

分子量: 146.15

InChI:InChI=1S/C8H6N2O/c11-10-6-5-9-7-3-1-2-4-8(7)10/h1-6H

InChIKey: OARGFWQSVACNCO-UHFFFAOYSA-N

Smiles:[N+]1([O-])=C2C(C=CC=C2)=NC=C1

¹HNMR

IR1

IR2

Mass

MS-KW-0788          
quinoxaline 1-oxide
C8H6N2O             (Mass of molecular ion:    146)

   Source Temperature: 140 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      28.0       1.5
      37.0       1.5
      38.0       2.4
      39.0       3.9
      41.0       2.2
      50.0       7.4
      51.0       4.6
      52.0       3.7
      62.0       1.9
      63.0       6.3
      64.0      11.3
      65.0       2.7
      73.0       6.2
      74.0       2.5
      75.0       4.7
      76.0      10.1
      77.0       1.5
      78.0       2.2
      89.0       2.1
      90.0       7.8
      91.0      23.4
      92.0       2.5
     102.0      11.1
     103.0       7.1
     117.0       2.8
     118.0      10.6
     119.0       1.1
     120.0       1.5
     129.0       5.6
     130.0       9.8
     145.0       2.5
     146.0     100.0
     147.0      10.4

parameter in CDCl3

¹H NMR	300 MHz
C₈ H₆ N₂ O	0.16 M in CDCl₃
quinoxaline 1-oxide

    Parameter     ppm  Hz

      D(A)         8.679
      D(B)         8.358
       J(A,B)          3.5
     
      D(C)         8.594
      D(D)         7.760
      D(E)         7.836
      D(F)         8.142
       J(C,D)          8.75
       J(C,E)          1.28
       J(C,F)          0.59
       J(D,E)          7.06
       J(D,F)          1.41
       J(E,F)          8.54
     
     LIMBACH,H.-H. ET AL. BER.BUNSENGES.PHYS.CHEM. 74, 966 (1970)

     Hz     ppm     Int.

   2605.48   8.685    931
   2601.99   8.673   1000
   2583.51   8.612    325
   2583.03   8.610    351
   2582.17   8.607    340
   2581.53   8.605    310
   2574.57   8.582    392
   2573.53   8.578    372
   2573.05   8.577    351
   2509.12   8.364    999
   2505.63   8.352    931
   2448.01   8.160    301
   2447.54   8.158    316
   2446.38   8.155    343
   2439.70   8.132    341
   2439.07   8.130    368
   2438.09   8.127    393
   2437.61   8.125    369
   2359.59   7.865    201
   2358.18   7.861    219
   2352.54   7.842    375
   2351.16   7.837    463
   2349.77   7.833    189
   2344.21   7.814    336
   2342.69   7.809    303
   2335.97   7.787    348
   2334.35   7.781    360
   2328.92   7.763    205
   2327.35   7.758    462
   2325.85   7.753    324
   2320.32   7.734    190
   2318.80   7.729    175

KBr disc