120-00-3

固蓝 BB(120-00-3)质谱(MS)

分子式:C17H20N2O3

分子量: 300.35

InChI:InChI=1S/C17H20N2O3/c1-3-21-15-11-14(16(22-4-2)10-13(15)18)19-17(20)12-8-6-5-7-9-12/h5-11H,3-4,18H2,1-2H3,(H,19,20)

InChIKey: CNXZLZNEIYFZGU-UHFFFAOYSA-N

Smiles:C(NC1=CC(OCC)=C(N)C=C1OCC)(=O)C1=CC=CC=C1

Mass

MS-NW-7805          
Fast Blue BB base
C17H20N2O3          (Mass of molecular ion:    300)

   Source Temperature: 180 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      18.0       1.3
      26.0       1.0
      27.0       5.8
      28.0       2.3
      29.0       7.1
      39.0       2.4
      40.0       1.2
      41.0       4.6
      42.0       5.8
      43.0       1.4
      50.0       2.9
      51.0      10.2
      52.0       2.5
      53.0       1.2
      54.0       2.2
      65.0       1.4
      66.0       2.5
      67.0       3.0
      68.0       6.7
      69.0       1.2
      70.0       3.0
      76.0       2.5
      77.0      43.0
      78.0       3.8
      82.0       1.1
      83.0       1.1
      93.0       1.3
      94.0       4.7
      95.0       1.5
      96.0       1.4
     105.0     100.0
     106.0       8.0
     109.0       1.2
     110.0       1.6
     111.0      11.7
     112.0       1.0
     122.0       1.7
     123.0       4.9
     124.0       1.5
     137.0       1.8
     139.0       6.7
     140.0       1.1
     151.0       1.5
     152.0       1.3
     153.0       1.8
     165.0       1.6
     167.0       3.9
     168.0       2.1
     195.0       5.2
     197.0       1.0
     225.0       1.8
     243.0       1.2
     271.0      22.9
     272.0       4.8
     300.0      43.6
     301.0       9.3
     302.0       1.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₇ H₂₀ N₂ O₃	0.033 g : 0.5 ml CDCl₃
fast blue bb base

    Assign.     Shift(ppm)

      A             8.44
      B             8.174
      C             7.866
      D             7.52
      E             7.46
      F             6.374
      G     *1      4.106
      J     *1      4.027
      K             3.76
      L             1.42
     
     CONFIRMED BY LAOCN PROGRAM

     Hz     ppm     Int.

    755.50   8.436     81
    732.13   8.175    308
    709.63   7.924    140
    707.31   7.898    146
    704.13   7.863    147
    703.25   7.853    139
    702.19   7.841    102
    700.81   7.826    125
    699.75   7.814    171
    677.81   7.569     78
    677.13   7.561     83
    676.06   7.549    107
    673.81   7.524    391
    671.63   7.500    279
    668.75   7.468    151
    668.25   7.462    149
    666.88   7.447    147
    570.94   6.375    346
    378.38   4.225     91
    375.69   4.195     42
    374.94   4.187     45
    371.31   4.146    336
    369.00   4.121     58
    364.31   4.068    515
    361.38   4.036     54
    357.25   3.989    348
    350.38   3.913     98
    337.06   3.764    143
    133.63   1.493    525
    131.31   1.467     93
    130.44   1.457     99
    126.63   1.414   1000
    119.69   1.337    451

in CDCl3