Valethamate bromide(90-22-2) MS

Molecular FormulaC19H32BrNO2

Molecular Weight386.37

InChIInChI=1S/C19H32NO2.BrH/c1-6-16(4)18(17-12-10-9-11-13-17)19(21)22-15-14-20(5,7-2)8-3;/h9-13,16,18H,6-8,14-15H2,1-5H3;1H/q+1;/p-1

InChIKey CEJGGHKJHDHLAZ-UHFFFAOYSA-M

SmilesC1(=CC=CC=C1)C(C(C)CC)C(=O)OCC[N+](C)(CC)CC.[Br-]

Request For Quotation

¹³CNMR

IR1

IR2

Mass

MS-IW-2139          
diethylmethyl(2-(3-methyl-2-phenylvaleryloxy)ethyl)ammonium bromide
C19H32BrNO2         (Mass of molecular ion:    385)

   Source Temperature: 170 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      15.0       2.6
      17.0       1.0
      18.0       4.9
      27.0       3.6
      28.0       2.9
      29.0       6.3
      30.0       3.4
      41.0       2.8
      42.0       4.0
      43.0       1.7
      44.0       7.3
      56.0       3.3
      57.0       3.8
      58.0       5.6
      70.0       3.2
      71.0       2.7
      72.0      84.8
      73.0       4.1
      77.0       1.0
      84.0       2.2
      85.0      18.3
      86.0     100.0
      87.0       6.4
      90.0       1.6
      91.0      12.6
      92.0       1.3
      93.0       1.0
      94.0       4.8
      96.0       4.5
      99.0      13.0
     100.0       3.5
     105.0       4.3
     108.0       4.3
     110.0       4.1
     115.0       1.5
     117.0       2.9
     118.0       2.8
     136.0       2.6
     147.0       1.4
     163.0       1.8
     219.0       1.9
     276.0       1.2

in CDCl3