879-72-1

3-二甲胺基丙苯酮(879-72-1)質(zhì)譜(MS)

產(chǎn)品名稱:3-二甲胺基丙苯酮

CAS:879-72-1

分子式:C11H16ClNO

分子量: 213.7

InChI:InChI=1S/C11H15NO.ClH/c1-12(2)9-8-11(13)10-6-4-3-5-7-10;/h3-7H,8-9H2,1-2H3;1H

InChIKey: DKNDBIIKSJWQFL-UHFFFAOYSA-N

Smiles:C(C1=CC=CC=C1)(=O)CCN(C)C.[H]Cl

Mass

MS-IW-8117          
3-(dimethylamino)propiophenone hydrochloride
C11H15NO HCl        (Mass of molecular ion:    177)

   Source Temperature: 160 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      15.0       1.1
      18.0       4.8
      27.0       3.3
      28.0       3.3
      30.0       3.0
      35.0       1.3
      36.0      19.8
      38.0       6.6
      39.0       1.0
      42.0       6.9
      43.0       3.4
      44.0      18.4
      45.0      11.6
      50.0       3.5
      51.0      11.4
      55.0       5.8
      56.0       1.3
      57.0       8.2
      58.0     100.0
      59.0       4.7
      70.0       1.1
      72.0       6.2
      74.0       1.4
      76.0       1.5
      77.0      41.6
      78.0       3.7
      91.0       1.0
     103.0       1.4
     104.0       2.7
     105.0      67.7
     106.0       5.4
     131.0      10.5
     132.0      32.6
     133.0       4.9
     176.0       1.0
     177.0       8.5
     178.0       1.3

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₁ H₁₅ N O	0.050 g : 0.5 ml DMSO-d₆
3-(dimethylamino)propiophenone hydrochloride

    Assign.     Shift(ppm)

      A            11.1
      B             8.033
      C             7.693
      D             7.579
      E             3.685
      F             3.422
      G             2.818

     Hz     ppm     Int.

   3215.64   8.047    113
   3214.57   8.044    133
   3209.38   8.031     43
   3207.40   8.026    152
   3206.02   8.023    124
   3083.50   7.716     33
   3076.02   7.697     80
   3069.92   7.682     38
   3068.70   7.679     60
   3067.47   7.676     31
   3036.19   7.598    105
   3034.67   7.594     43
   3028.26   7.578    148
   3022.46   7.563     31
   3020.94   7.559     73
   1480.87   3.706     68
   1473.85   3.688    122
   1465.91   3.668     96
   1374.36   3.439    116
   1366.42   3.420    124
   1359.41   3.402     68
   1126.71   2.820   1000

in DMSO-d6

in D2O