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Ethyl (Z)-5-[(1S,6R)-6-(p-Tolylthio)bicyclo[4.1.0]heptan-1-yl]-2-pentenoate
SpectraBase Compound ID LgjLYKo4qKO
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-VEZITOEXSA-N
Mol Weight 344.51 g/mol
Molecular Formula C21H28O2S
Exact Mass 344.181001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7vezWoskD14
Name Ethyl (Z)-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-VEZITOEXSA-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-0950000000-2bc8737ce1b469ba1349
Source of Spectrum E1-45-461-9
Synonyms Ethyl (2Z)-5-{(1S,6R)-6-[(4-methylphenyl)sulfanyl]bicyclo[4.1.0]hept-1-yl}-2-pentenoate
Wiley ID 1553785