Ethyl (E)-5-[(1S,6R)-6-(p-Tolylthio)bicyclo[4.1.0]heptan-1-yl]-2-pentenoate

SpectraBase Compound ID	T5c11a7bJO
InChI	InChI=1S/C21H28O2S/c1-3-23-19(22)8-4-5-13-20-14-6-7-15-21(20,16-20)24-18-11-9-17(2)10-12-18/h4,8-12H,3,5-7,13-16H2,1-2H3/b8-4+/t20-,21-/m1/s1
InChIKey	MIEGTKMNGGFYFH-FTWXOEDXSA-N Google Search
Mol Weight	344.51 g/mol
Molecular Formula	C21H28O2S
Exact Mass	344.181001 g/mol

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SpectraBase Spectrum ID	Eo4xb0n5vwA
Name	Ethyl (E)-5-[(1S,6R)-6-(p-Tolylthio)bicyclo[4.1.0]heptan-1-yl]-2-pentenoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H28O2S
InChI	InChI=1S/C21H28O2S/c1-3-23-19(22)8-4-5-13-20-14-6-7-15-21(20,16-20)24-18-11-9-17(2)10-12-18/h4,8-12H,3,5-7,13-16H2,1-2H3/b8-4+/t20-,21-/m1/s1
InChIKey	MIEGTKMNGGFYFH-FTWXOEDXSA-N
Molecular Weight	344.513 g/mol
SMILES	C(\C=C\CC[C@@]12CCCC[C@]2(C1)Sc1ccc(cc1)C)(=O)OCC
SPLASH	splash10-00ea-0950000000-4abb5e1a1b819b176231
Source of Spectrum	E1-45-461-9
Synonyms	Ethyl (2E)-5-{(1S,6R)-6-[(4-methylphenyl)sulfanyl]bicyclo[4.1.0]hept-1-yl}-2-pentenoate
Wiley ID	1553786