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2-Benzyl-1-cyclohexyl-3-methyl-isothiourea

View entire compound with spectra: 1 MS (GC)

2-Benzyl-1-cyclohexyl-3-methyl-isothiourea
SpectraBase Compound ID DnHE8eRhfse
InChI InChI=1S/C15H22N2S/c1-16-15(17-14-10-6-3-7-11-14)18-12-13-8-4-2-5-9-13/h2,4-5,8-9,14H,3,6-7,10-12H2,1H3,(H,16,17)
InChIKey QETDXUXHVXRUTE-UHFFFAOYSA-N
Mol Weight 262.41 g/mol
Molecular Formula C15H22N2S
Exact Mass 262.15037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AfZ81D59InZ
Name 2-Benzyl-1-cyclohexyl-3-methyl-isothiourea
Alternate Name(s) (phenylmethyl) N-cyclohexyl-N'-methyl-carbamimidothioate benzyl N-cyclohexyl-N'-methylcarbamimidothioate Benzyl N-cyclohexyl-N'-[(Z)-methyl]imidothiocarbamate N-cyclohexyl-N'-methylcarbamimidothioic acid (phenylmethyl) ester
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Formula C15H22N2S
InChI InChI=1S/C15H22N2S/c1-16-15(17-14-10-6-3-7-11-14)18-12-13-8-4-2-5-9-13/h2,4-5,8-9,14H,3,6-7,10-12H2,1H3,(H,16,17)
InChIKey QETDXUXHVXRUTE-UHFFFAOYSA-N
Molecular Weight 262.415 g/mol
SMILES N(\C(=N\C)SCc1ccccc1)C1CCCCC1
SPLASH splash10-0a4l-9200000000-027cd75d0910353dda6e
Wiley ID 1447697