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N-[2-(p-tolylthio)cyclohexyl]carbamic acid tert-butyl ester
SpectraBase Compound ID D4rZnATgcqI
InChI InChI=1S/C18H27NO2S/c1-13-9-11-14(12-10-13)22-16-8-6-5-7-15(16)19-17(20)21-18(2,3)4/h9-12,15-16H,5-8H2,1-4H3,(H,19,20)
InChIKey LFVDCEWYUABKPM-UHFFFAOYSA-N
Mol Weight 321.48 g/mol
Molecular Formula C18H27NO2S
Exact Mass 321.17625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H8tYdr6vGMS
Name N-[2-(p-tolylthio)cyclohexyl]carbamic acid tert-butyl ester
Alternate Name(s) N-[2-[(4-methylphenyl)thio]cyclohexyl]carbamic acid tert-butyl ester tert-Butyl N-[2-(4-methylphenyl)sulfanylcyclohexyl]carbamate tert-Butyl N-[2-(p-tolylsulfanyl)cyclohexyl]carbamate
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Formula C18H27NO2S
InChI InChI=1S/C18H27NO2S/c1-13-9-11-14(12-10-13)22-16-8-6-5-7-15(16)19-17(20)21-18(2,3)4/h9-12,15-16H,5-8H2,1-4H3,(H,19,20)
InChIKey LFVDCEWYUABKPM-UHFFFAOYSA-N
Molecular Weight 321.479 g/mol
SMILES N(C(OC(C)(C)C)=O)C1C(Sc2ccc(cc2)C)CCCC1
SPLASH splash10-0pb9-9081000000-22ea35f4fe6ec420852f
Source of Spectrum K-2001-1316-3
Wiley ID 1578995