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(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
Mol Weight 302.48 g/mol
Molecular Formula C19H26OS
Exact Mass 302.170437 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1qluoSrUHI
Name (1R,3R,6R,9R)-trans-5,5,9-Trimethyl-3-styryl-2-oxa-4-thiabicyclo[4.4.0]decane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Molecular Weight 302.476 g/mol
SMILES C1(S[C@](\C=C\c2ccccc2)(O[C@]2([C@]1(CC[C@@](C)(C2)[H])[H])[H])[H])(C)C
SPLASH splash10-0f79-5905000000-d84613f56f079bb77268
Source of Spectrum F-59-1869-4
Synonyms (2R,4aR,7R,8aR)-4,4,7-Trimethyl-2-((E)-styryl)-hexahydro-1-oxa-3-thia-naphthalene
Wiley ID 1677301