DIETHYLCARBAMAZINE CITRATE(1642-54-2) MS
Product NameDIETHYLCARBAMAZINE CITRATE
CAS1642-54-2
Molecular FormulaC16H29N3O8
Molecular Weight391.42
InChIInChI=1S/C10H21N3O.C6H8O7/c1-4-12(5-2)10(14)13-8-6-11(3)7-9-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-9H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey PGNKBEARDDELNB-UHFFFAOYSA-N
SmilesN1(CCN(C)CC1)C(=O)N(CC)CC.C(O)(C(=O)O)(CC(=O)O)CC(=O)O
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MassMS-NW-9432 N,N-diethyl-4-methyl-1-piperazinecarboxamide citrate C10H21N3O C6H8O7 (Mass of molecular ion: 199)
Source Temperature: 210 °C Sample Temperature: 150 °C Direct, 75 eV
15.0 5.1 17.0 2.9 18.0 15.3 27.0 6.0 28.0 12.0 29.0 26.1 30.0 6.0 41.0 3.1 42.0 29.0 43.0 25.6 44.0 21.9 54.0 2.0 55.0 3.5 56.0 35.5 57.0 13.7 58.0 84.5 59.0 3.1 68.0 1.2 69.0 1.2 70.0 37.5 71.0 100.0 72.0 71.1 73.0 3.2 74.0 1.2 82.0 7.7 83.0 32.8 84.0 5.0 84.5 3.8 85.0 4.4 97.0 3.6 98.0 2.4 99.0 20.4 100.0 50.4 101.0 3.5 113.0 3.1 117.0 1.7 126.0 2.6 127.0 16.0 128.0 1.8 129.0 23.0 130.0 1.7 141.0 2.6 142.0 3.4 143.0 2.0 199.0 19.9 200.0 3.4
KBr disc
nujol mull
