[1-(T-Butyl)-3-(3'-isopropyl-5'-methylcyclohexyl)allyl] allyl sulfide

SpectraBase Compound ID	CUlNsyugOHS
InChI	InChI=1S/C20H36S/c1-8-11-21-19(20(5,6)7)10-9-17-12-16(4)13-18(14-17)15(2)3/h8-10,15-19H,1,11-14H2,2-7H3/b10-9+
InChIKey	LLSLIFSNRDIAHK-MDZDMXLPSA-N Google Search
Mol Weight	308.6 g/mol
Molecular Formula	C20H36S
Exact Mass	308.253772 g/mol

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SpectraBase Spectrum ID	DewG2ijl8DV
Name	[1-(T-Butyl)-3-(3'-isopropyl-5'-methylcyclohexyl)allyl] allyl sulfide
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	308.253772333 u
Formula	C20H36S
InChI	InChI=1S/C20H36S/c1-8-11-21-19(20(5,6)7)10-9-17-12-16(4)13-18(14-17)15(2)3/h8-10,15-19H,1,11-14H2,2-7H3/b10-9+
InChIKey	LLSLIFSNRDIAHK-MDZDMXLPSA-N
Molecular Weight	308.568 g/mol
SMILES	C1(\C=C\C(C(C)(C)C)SCC=C)CC(C(C)C)CC(C1)C
Spectrum/Structure Validation Score (Vapor Phase IR)	0.956843