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N-[2-[(4-tert-butylphenyl)thio]cyclohexyl]carbamic acid tert-butyl ester
SpectraBase Compound ID KjzMyiWQSOb
InChI InChI=1S/C21H33NO2S/c1-20(2,3)15-11-13-16(14-12-15)25-18-10-8-7-9-17(18)22-19(23)24-21(4,5)6/h11-14,17-18H,7-10H2,1-6H3,(H,22,23)
InChIKey YXDNLABDVQQFFI-UHFFFAOYSA-N
Mol Weight 363.6 g/mol
Molecular Formula C21H33NO2S
Exact Mass 363.2232 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LACuAYDOgHE
Name N-[2-[(4-tert-butylphenyl)thio]cyclohexyl]carbamic acid tert-butyl ester
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Formula C21H33NO2S
InChI InChI=1S/C21H33NO2S/c1-20(2,3)15-11-13-16(14-12-15)25-18-10-8-7-9-17(18)22-19(23)24-21(4,5)6/h11-14,17-18H,7-10H2,1-6H3,(H,22,23)
InChIKey YXDNLABDVQQFFI-UHFFFAOYSA-N
Molecular Weight 363.560 g/mol
SMILES N(C(OC(C)(C)C)=O)C1C(Sc2ccc(C(C)(C)C)cc2)CCCC1
SPLASH splash10-0002-0091000000-3712d2da99dd60e25e7b
Source of Spectrum K-2001-1316-3
Synonyms tert-Butyl N-[2-(4-tert-butylphenyl)sulfanylcyclohexyl]carbamate
Wiley ID 1578993