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1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea
SpectraBase Compound ID 7qNa9cS0s56
InChI InChI=1S/C9H16ClN3O2/c10-6-7-13(12-15)9(14)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14)/i7D2
InChIKey GQYIWUVLTXOXAJ-RJSZUWSASA-N
Mol Weight 235.71 g/mol
Molecular Formula C9H142H2ClN3O2
Exact Mass 235.105658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GtYeMtShbcn
Name 3-Cyclohexyl-1-(1,1-dideuterio-2-chloroethyl)-1-nitrosourea
CAS Registry Number 77081-29-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14D2ClN3O2
InChI InChI=1S/C9H16ClN3O2/c10-6-7-13(12-15)9(14)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14)/i7D2
InChIKey GQYIWUVLTXOXAJ-RJSZUWSASA-N
Molecular Weight 235.711 g/mol
SMILES N(C(N(N=O)C(CCl)([2D])[2D])=O)C1CCCCC1
SPLASH splash10-001i-9400000000-5617edadd22e6a512337
Source of Spectrum J-46-2488-2
Wiley ID 1234626