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N-[2-(phenylthio)cyclohexyl]carbamic acid tert-butyl ester
SpectraBase Compound ID DlZorpmSOkq
InChI InChI=1S/C17H25NO2S/c1-17(2,3)20-16(19)18-14-11-7-8-12-15(14)21-13-9-5-4-6-10-13/h4-6,9-10,14-15H,7-8,11-12H2,1-3H3,(H,18,19)
InChIKey QQENJBNIEGDWOM-UHFFFAOYSA-N
Mol Weight 307.45 g/mol
Molecular Formula C17H25NO2S
Exact Mass 307.1606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3XIUV7i4ehc
Name N-[2-(phenylthio)cyclohexyl]carbamic acid tert-butyl ester
Alternate Name(s) tert-Butyl N-(2-phenylsulfanylcyclohexyl)carbamate
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Formula C17H25NO2S
InChI InChI=1S/C17H25NO2S/c1-17(2,3)20-16(19)18-14-11-7-8-12-15(14)21-13-9-5-4-6-10-13/h4-6,9-10,14-15H,7-8,11-12H2,1-3H3,(H,18,19)
InChIKey QQENJBNIEGDWOM-UHFFFAOYSA-N
Molecular Weight 307.452 g/mol
SMILES N(C(OC(C)(C)C)=O)C1C(Sc2ccccc2)CCCC1
SPLASH splash10-0a4i-9200000000-f52dce7da1eac4902d9d
Source of Spectrum K-2001-1316-3
Wiley ID 1578996