370-81-0

雙環(huán)己酮草酰二腙(370-81-0)紅外圖譜(IR2)

產(chǎn)品名稱:雙環(huán)己酮草酰二腙

CAS:370-81-0

分子式:C14H22N4O2

分子量: 278.35

InChI:InChI=1S/C14H22N4O2/c19-13(17-15-11-7-3-1-4-8-11)14(20)18-16-12-9-5-2-6-10-12/h1-10H2,(H,17,19)(H,18,20)

InChIKey: DSRJIHMZAQEUJV-UHFFFAOYSA-N

Smiles:C1(/CCCCC/1)=N/NC(=O)C(=O)N/N=C1\CCCCC\1

Mass

MS-NW-0386          
oxalic acid bis(cyclohexylidenehydrazide)
C14H22N4O2          (Mass of molecular ion:    278)

   Source Temperature: 160 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      18.0       1.3
      27.0       2.7
      28.0       1.4
      29.0       3.1
      30.0       2.5
      39.0       3.7
      41.0      12.3
      42.0       3.9
      43.0       1.1
      53.0       2.5
      54.0       7.9
      55.0      13.3
      56.0       1.2
      67.0       4.9
      68.0       2.6
      69.0       7.0
      79.0       1.2
      81.0       3.3
      82.0       2.1
      84.0       1.6
      94.0       1.0
      95.0       1.3
      96.0       5.3
      97.0       6.2
      98.0      18.7
      99.0       1.3
     111.0       1.9
     112.0      18.8
     113.0       1.7
     137.0       1.0
     138.0       1.1
     139.0     100.0
     140.0       9.1
     235.0       1.5
     278.0       5.9
     279.0       1.0

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₄ H₂₂ N₄ O₂	0.039 g : 0.5 ml CDCl₃
oxalic acid bis(cyclohexylidenehydrazide)

    Assign.     Shift(ppm)

      A            10.1
      B     *1      2.465
      C     *1      2.404
      D             1.76
      E             1.68

     Hz     ppm     Int.

   4029.08  10.082    599
    991.67   2.482    747
    985.57   2.467   1000
    979.00   2.450    858
    967.71   2.422    633
    961.61   2.407    968
    955.05   2.390    781
    720.21   1.803    154
    714.26   1.788    368
    708.01   1.772    683
    702.21   1.758    776
    696.11   1.742    750
    690.46   1.728    518
    683.75   1.711    311
    678.25   1.698    364
    675.96   1.692    392
    672.15   1.682    567
    667.88   1.672    544
    660.55   1.653    272

¹H NMR	89.56 MHz
C₁₄ H₂₂ N₄ O₂	0.046 g : 0.5 ml CDCl₃
oxalic acid bis(cyclohexylidenehydrazide)

    Assign.     Shift(ppm)

      A            10.06
      B             2.427
      C          1.87 to 1.62

     Hz     ppm     Int.

    900.56  10.056    163
    221.06   2.469    474
    215.00   2.401    593
    209.50   2.340    257
    209.19   2.336    257
    205.81   2.299     60
    169.63   1.895     58
    169.13   1.889     59
    168.31   1.880     64
    167.50   1.871     84
    164.13   1.833    171
    163.75   1.829    175
    160.19   1.789    314
    153.75   1.717   1000
    152.06   1.698    981

in CDCl3

in DMSO-d6