5284-79-7

2,6-二(4-叠氮苯亚甲基)-4甲基环己酮(5284-79-7)核磁图(¹HNMR)

分子式:C21H18N6O

分子量: 370.41

InChI:InChI=1S/C21H18N6O/c1-14-10-17(12-15-2-6-19(7-3-15)24-26-22)21(28)18(11-14)13-16-4-8-20(9-5-16)25-27-23/h2-9,12-14H,10-11H2,1H3/b17-12+,18-13+

InChIKey: MLIWQXBKMZNZNF-PWDIZTEBSA-N

Smiles:C1(/CC(C/C(=C\C2C=CC(N=[N+]=[N-])=CC=2)/C/1=O)C)=C/C1=CC=C(N=[N+]=[N-])C=C1

Mass

MS-NW-7045          
2,6-bis(p-azidobenzylidene)-4-methylcyclohexanone
C21H18N6O           (Mass of molecular ion:    370)

   Source Temperature: 200 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      14.0       2.6
      18.0       2.9
      28.0     100.0
      29.0       1.0
      39.0       1.9
      41.0       1.0
      51.0       1.8
      63.0       1.7
      64.0       1.6
      65.0       1.0
      77.0       1.8
      91.0       1.6
     102.0       1.3
     103.0       1.3
     115.0       1.6
     116.0       1.0
     119.0       1.5
     128.0       1.4
     129.0       1.2
     130.0       1.1
     215.0       1.1
     216.0       1.4
     242.0       1.1
     243.0       2.4
     244.0       2.0
     271.0       1.4
     285.0       4.0
     286.0       2.2
     288.0       1.9
     314.0       2.1
     342.0       6.1
     343.0       1.7
     344.0       1.4
     370.0       3.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₂₁ H₁₈ N₆ O	0.043 g : 0.5 ml CDCl₃
2,6-bis(p-azidobenzylidene)-4-methylcyclohexanone

    Assign.     Shift(ppm)

      A             7.74
      B             7.45
      C             7.058
      D     *1      2.98
      E     *1      2.49
      F             1.85
      G             1.088

     Hz     ppm     Int.

    692.81   7.736    341
    672.44   7.509    507
    670.94   7.492    233
    664.00   7.415    816
    661.75   7.389    211
    637.88   7.123    172
    635.63   7.098   1000
    633.63   7.075    317
    628.88   7.022    251
    627.00   7.001    654
    277.44   3.098     98
    261.75   2.923    180
    234.25   2.616     92
    222.75   2.488    133
    207.69   2.320     92
    164.56   1.838     64
    100.44   1.122    697
     94.06   1.051    575

in CDCl3