14414-32-5

丁香醛连氮(14414-32-5)Raman光谱

分子式:C18H20N2O6

分子量: 360.36

InChI:InChI=1S/C18H20N2O6/c1-23-13-5-11(6-14(24-2)17(13)21)9-19-20-10-12-7-15(25-3)18(22)16(8-12)26-4/h5-10,21-22H,1-4H3

InChIKey: YARKTHNUMGKMGS-UHFFFAOYSA-N

Smiles:C(=NN=CC1=CC(OC)=C(O)C(OC)=C1)C1=CC(OC)=C(O)C(OC)=C1

Mass

MS-NW-7112          
4-hydroxy-3,5-dimethoxybenzaldehyde azine
C18H20N2O6          (Mass of molecular ion:    360)

   Source Temperature: 220 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      15.0       1.6
      18.0       1.1
      28.0       1.1
      38.0       1.3
      39.0       5.2
      41.0       2.0
      43.0       1.3
      50.0       2.6
      51.0       3.7
      52.0       3.5
      53.0       3.5
      55.0       1.3
      63.0       1.9
      64.0       1.6
      65.0       7.0
      66.0       3.7
      67.0       7.7
      68.0       1.1
      76.0       1.1
      77.0       3.1
      78.0       4.2
      79.0       3.9
      80.0       2.7
      81.0       2.2
      82.0       2.7
      85.0       1.3
      90.0       1.6
      91.0       1.1
      92.0       1.3
      93.0       5.0
      94.0       1.8
      95.0       3.8
      96.0       1.1
     105.0       1.6
     106.0       1.9
     107.0       2.0
     108.0       5.3
     109.0       2.7
     110.0       2.3
     111.0       1.9
     118.0       1.3
     119.0       1.6
     120.0       2.1
     121.0       2.5
     122.0       2.2
     123.0       6.2
     125.0       1.1
     133.0       1.6
     134.0       2.0
     135.0       3.3
     136.0       3.0
     137.0       1.7
     138.0       2.7
     139.0       1.9
     141.0       1.2
     148.0       1.0
     149.0       1.7
     150.0       2.2
     151.0       3.3
     152.0       2.0
     153.0       5.1
     154.0       1.9
     162.0       1.4
     164.0       5.7
     165.0       1.7
     166.0       3.5
     167.0       3.9
     168.0       1.1
     174.0       2.2
     178.0       1.0
     179.0       4.9
     180.0      11.4
     181.0       4.9
     182.0       1.7
     191.0       1.8
     192.0       1.8
     193.0       1.1
     197.0       1.4
     199.0       1.0
     207.0      30.3
     208.0       4.0
     211.0       1.5
     212.0       1.0
     213.0       1.3
     214.0       1.5
     215.0       1.1
     225.0       1.4
     226.0       1.2
     227.0       1.2
     228.0       1.3
     229.0       1.1
     239.0       1.2
     241.0       2.3
     242.0       2.2
     243.0       1.6
     253.0       1.1
     255.0       1.0
     256.0       1.7
     257.0       2.8
     258.0       1.0
     259.0       1.2
     269.0       1.4
     270.0       1.6
     271.0       1.9
     273.0       1.5
     284.0       2.0
     285.0       2.4
     286.0       1.5
     287.0       1.3
     298.0       1.0
     299.0       1.4
     300.0       1.0
     301.0       1.5
     302.0       1.8
     313.0       1.2
     314.0       1.7
     317.0       1.1
     318.0       2.9
     327.0       1.2
     329.0       3.6
     330.0       1.5
     332.0      17.0
     333.0       5.2
     343.0       1.1
     345.0       8.0
     346.0       1.7
     359.0      21.0
     360.0     100.0
     361.0      21.1
     362.0       3.6

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₈ H₂₀ N₂ O₆	0.041 g : 0.5 ml DMSO-d₆
4-hydroxy-3,5-dimethoxybenzaldehyde azine

    Assign.     Shift(ppm)

      A             9.1
      B             8.606
      C             7.176
      D             3.837

     Hz     ppm     Int.

   3439.48   8.607    213
   2868.19   7.177    402
   1533.66   3.838   1000
   1526.49   3.820     22

DMSO-d6

KBr disc

nujol mull

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