(1S)-4-(4-Thiophenoxy-((E)-1-butenyl)-4,6,6-trimethylbicyclo[3.1.1]heptan-2-one

SpectraBase Compound ID	5EkZGjeRwW5
InChI	InChI=1S/C20H26OS/c1-19(2)16-13-18(19)20(3,14-17(16)21)11-7-8-12-22-15-9-5-4-6-10-15/h4-7,9-11,16,18H,8,12-14H2,1-3H3/b11-7+/t16-,18-,20-/m1/s1
InChIKey	HADBQWULFRJYEL-WFYSAOCNSA-N Google Search
Mol Weight	314.49 g/mol
Molecular Formula	C20H26OS
Exact Mass	314.170437 g/mol

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SpectraBase Spectrum ID	5DKG8t0lAoL
Name	(1S)-4-(4-Thiophenoxy-((E)-1-butenyl)-4,6,6-trimethylbicyclo[3.1.1]heptan-2-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H26OS
InChI	InChI=1S/C20H26OS/c1-19(2)16-13-18(19)20(3,14-17(16)21)11-7-8-12-22-15-9-5-4-6-10-15/h4-7,9-11,16,18H,8,12-14H2,1-3H3/b11-7+/t16-,18-,20-/m1/s1
InChIKey	HADBQWULFRJYEL-WFYSAOCNSA-N
Molecular Weight	314.487 g/mol
SMILES	C1([C@@]2([C@@](\C=C\CCSc3ccccc3)(C)CC([C@]1(C2)[H])=O)[H])(C)C
SPLASH	splash10-00di-3900000000-6a29bab6833d372874c9
Source of Spectrum	C-116-11696-6
Synonyms	4,6,6-Trimethyl-4-((E)-4-phenylsulfanyl-but-1-enyl)-bicyclo[3.1.1]heptan-2-one 4,6,6-trimethyl-4-[(E)-4-(phenylthio)but-1-enyl]-2-bicyclo[3.1.1]heptanone 4,6,6-trimethyl-4-[(E)-4-phenylsulfanylbut-1-enyl]norpinan-2-one 4,6,6-trimethyl-4-[(E)-4-phenylsulfanylbut-1-enyl]bicyclo[3.1.1]heptan-2-one
Wiley ID	1315390