34118-92-8

N-鹽酸乙酰普魯卡胺(34118-92-8)質(zhì)譜(MS)

分子式:C15H24ClN3O2

分子量: 313.82

InChI:InChI=1S/C15H23N3O2.ClH/c1-4-18(5-2)11-10-16-15(20)13-6-8-14(9-7-13)17-12(3)19;/h6-9H,4-5,10-11H2,1-3H3,(H,16,20)(H,17,19);1H

InChIKey: IYEWBJUCJHKLHD-UHFFFAOYSA-N

Smiles:C1(C(=O)NCCN(CC)CC)=CC=C(NC(=O)C)C=C1.Cl

Mass

MS-NW-9018          
p-acetamido-N-(2-(diethylamino)ethyl)benzamide hydrochloride
C15H23N3O2 HCl      (Mass of molecular ion:    277)

   Source Temperature: 210 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      18.0       2.7
      28.0       4.8
      29.0       1.7
      30.0       6.9
      36.0       5.0
      38.0       1.6
      41.0       1.0
      42.0       1.5
      43.0       2.0
      55.0       1.0
      56.0       2.3
      57.0       1.2
      58.0       8.4
      65.0       1.4
      70.0       1.2
      71.0       2.7
      72.0       1.1
      84.0       1.4
      86.0     100.0
      87.0       5.9
      91.0       1.0
      92.0       2.0
      99.0      14.6
     100.0       1.2
     120.0       4.0
     162.0       2.1
     205.0       1.7

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₅ H₂₃ N₃ O₂	0.042 g : 0.5 ml DMSO-d₆
p-acetamido-N-(2-(diethylamino)ethyl)benzamide hydrochloride

    Assign.     Shift(ppm)

      A            10.4
      B             8.92
      C             7.908
      D             7.721
      E             3.655
      F             3.240
      G             3.192
      J             2.100
      K             1.245

     Hz     ppm     Int.

   4168.55  10.431    204
   3568.57   8.930     48
   3562.93   8.916    100
   3557.28   8.901     49
   3165.74   7.922    251
   3156.89   7.900    322
   3089.75   7.732    274
   3080.90   7.709    230
   1470.49   3.680     47
   1464.23   3.664    132
   1458.28   3.649    138
   1452.33   3.635     57
   1300.96   3.256     86
   1294.86   3.240    157
   1287.38   3.222    133
   1279.60   3.202    248
   1272.28   3.184    252
   1265.11   3.166     94
    839.08   2.100   1000
    504.91   1.264    416
    497.74   1.246    879
    490.42   1.228    404

in DMSO-d6