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1-(2-Chloroethyl)-3-cyclohexylurea-15N
SpectraBase Compound ID 5eKzcIwTg0A
InChI InChI=1S/C9H17ClN2O/c10-6-7-11-9(13)12-8-4-2-1-3-5-8/h8H,1-7H2,(H2,11,12,13)/i12+1
InChIKey BIOZXMXBLXQEBQ-HNHCFKFXSA-N
Mol Weight 205.69 g/mol
Molecular Formula C9H17ClN15NO
Exact Mass 205.099976 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EVWlV8Z6eD6
Name 1-(2-Chloroethyl)-3-cyclohexylurea-15N
Alternate Name(s) N-(2-Chloroethyl)-N'-cyclohexylurea-¹5N
CAS Registry Number 79664-82-7
Comments Less than 3 mono-isotopic peaks; Original formula: C9H17ClN[15N]O
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Formula C9H17ClN2O
InChI InChI=1S/C9H17ClN2O/c10-6-7-11-9(13)12-8-4-2-1-3-5-8/h8H,1-7H2,(H2,11,12,13)/i12+1
InChIKey BIOZXMXBLXQEBQ-HNHCFKFXSA-N
Molecular Weight 205.694 g/mol
SMILES [15NH](C(=O)NCCCl)C1CCCCC1
SPLASH splash10-0a4i-9020000000-33acf9c11853d4af232a
Source of Spectrum J-46-5320-16a
Wiley ID 1201441