(1R,3R,6R,9R)-Trans-5,5,9-trimethyl-3-styryl-2-oxa-4-thiabicyclo[4.4.0]decane

SpectraBase Compound ID	plgIEmlQt
InChI	InChI=1S/C19H26OS/c1-14-9-11-16-17(13-14)20-18(21-19(16,2)3)12-10-15-7-5-4-6-8-15/h4-8,10,12,14,16-18H,9,11,13H2,1-3H3/b12-10+/t14-,16-,17-,18-/m1/s1
InChIKey	PKCUGFBJGJJRBK-GADNJISNSA-N Google Search
Mol Weight	302.48 g/mol
Molecular Formula	C19H26OS
Exact Mass	302.170437 g/mol

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SpectraBase Spectrum ID	7fQZIeYDwTs
Name	(1R,3R,6R,9R)-Trans-5,5,9-trimethyl-3-styryl-2-oxa-4-thiabicyclo[4.4.0]decane
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	302.170436630 u
Formula	C19H26OS
InChI	InChI=1S/C19H26OS/c1-14-9-11-16-17(13-14)20-18(21-19(16,2)3)12-10-15-7-5-4-6-8-15/h4-8,10,12,14,16-18H,9,11,13H2,1-3H3/b12-10+/t14-,16-,17-,18-/m1/s1
InChIKey	PKCUGFBJGJJRBK-GADNJISNSA-N
SMILES	C1(S[C@](\C=C\C=2C=CC=CC2)(O[C@]2([C@]1(CC[C@@](C)(C2)[H])[H])[H])[H])(C)C
Spectrum/Structure Validation Score (Vapor Phase IR)	0.936346