52119-37-6

(E)-4-(DIMETHYLAMINO)-4'-METHOXYCHALCONE(52119-37-6)質(zhì)譜(MS)

產(chǎn)品名稱:(E)-4-(DIMETHYLAMINO)-4'-METHOXYCHALCONE

CAS:52119-37-6

分子式:C18H19NO2

分子量: 281.35

InChI:InChI=1S/C18H19NO2/c1-19(2)16-9-4-14(5-10-16)6-13-18(20)15-7-11-17(21-3)12-8-15/h4-13H,1-3H3/b13-6+

InChIKey: VYCHTZRFUNDXSN-AWNIVKPZSA-N

Smiles:C(C1=CC=C(OC)C=C1)(=O)/C=C/C1=CC=C(N(C)C)C=C1

Mass

MS-NW-9748          
trans-4-dimethylamino-4'-methoxychalcone
C18H19NO2           (Mass of molecular ion:    281)

   Source Temperature: 180 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      77.0       4.1
      92.0       2.2
     102.0       1.2
     103.0       1.7
     105.0       1.0
     107.0       1.8
     119.0       1.3
     120.0       2.2
     121.0      20.1
     122.0       1.8
     126.0       1.1
     126.5       5.2
     127.0       1.1
     130.0       2.3
     131.0       2.1
     135.0       5.1
     144.0       2.7
     145.0       1.7
     146.0       7.0
     165.0       2.3
     166.0       1.6
     174.0      14.8
     175.0       1.8
     194.0       2.4
     195.0       2.1
     208.0       1.6
     209.0       2.4
     210.0       2.3
     221.0       1.5
     222.0       2.1
     223.0       1.9
     236.0       1.0
     237.0       7.2
     238.0      10.7
     239.0       1.9
     249.0       1.0
     250.0      11.5
     251.0       2.7
     252.0       4.8
     253.0       4.0
     264.0       3.4
     265.0       3.9
     266.0      20.6
     267.0       4.1
     280.0      26.7
     281.0     100.0
     282.0      19.8
     283.0       2.5

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₈ H₁₉ N O₂	0.033 g : 0.5 ml CDCl₃
trans-4-dimethylamino-4'-methoxychalcone

    Assign.     Shift(ppm)

      A             8.024
      B             7.783
      C             7.536
      D             7.351
      E             6.960
      F             6.678
      G             3.862
      J             3.014
     
     J(B,D)=15.5HZ.
     90MHZ. : HSP-05-091

     Hz     ppm     Int.

   3211.43   8.036    143
   3209.35   8.031     44
   3204.59   8.019     45
   3202.39   8.013    148
   3118.90   7.805     55
   3103.39   7.766     65
   3015.87   7.547    100
   3014.16   7.543     33
   3009.03   7.530     34
   3007.32   7.525    104
   2944.95   7.369    105
   2929.44   7.331     89
   2786.01   6.972    145
   2783.94   6.966     43
   2779.17   6.955     42
   2776.98   6.949    137
   2673.34   6.690    100
   2671.39   6.685     34
   2666.38   6.672     32
   2664.43   6.667     96
   1543.70   3.863    605
   1204.71   3.015   1000

¹H NMR	89.56 MHz
C₁₈ H₁₉ N O₂	0.033 g : 0.5 ml CDCl₃
trans-4-dimethylamino-4'-methoxychalcone

    Assign.     Shift(ppm)

      A             8.020
      B             7.765
      C             7.53
      D             7.36
      E             6.959
      F             6.678
      G             3.859
      J             3.012
     
     400MHZ. : HSP-41-802

     Hz     ppm     Int.

    723.00   8.073    108
    720.88   8.050     36
    716.13   7.997     42
    713.94   7.972    129
    705.94   7.883     35
    690.50   7.710     73
    679.13   7.583     78
    677.31   7.563     31
    672.13   7.505     35
    670.44   7.486     98
    664.13   7.416    109
    648.75   7.244     60
    627.31   7.005    127
    625.19   6.981     36
    620.44   6.928     36
    618.31   6.904    103
    602.00   6.722     97
    600.06   6.701     31
    595.06   6.645     30
    593.06   6.622     76
    345.75   3.861    539
    269.81   3.013   1000

in CDCl3