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(E,4S,5R)-4-(ethylthio)carbonyl-5-hydroxy-7-phenyl-hept-6-enoic acid ethyl ester
SpectraBase Compound ID JsRXtFC16I9
InChI InChI=1S/C18H24O4S/c1-3-22-17(20)13-11-15(18(21)23-4-2)16(19)12-10-14-8-6-5-7-9-14/h5-10,12,15-16,19H,3-4,11,13H2,1-2H3/b12-10+/t15-,16+/m0/s1
InChIKey YHVNDJNBGJQRHO-AOOXPWSASA-N
Mol Weight 336.45 g/mol
Molecular Formula C18H24O4S
Exact Mass 336.13953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G15iIwl18DB
Name (E,4S,5R)-4-(ethylthio)carbonyl-5-hydroxy-7-phenyl-hept-6-enoic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O4S
InChI InChI=1S/C18H24O4S/c1-3-22-17(20)13-11-15(18(21)23-4-2)16(19)12-10-14-8-6-5-7-9-14/h5-10,12,15-16,19H,3-4,11,13H2,1-2H3/b12-10+/t15-,16+/m0/s1
InChIKey YHVNDJNBGJQRHO-AOOXPWSASA-N
Molecular Weight 336.446 g/mol
SMILES O[C@](\C=C\c1ccccc1)([C@@](C(=O)SCC)(CCC(=O)OCC)[H])[H]
SPLASH splash10-0cgl-5920000000-f7a45e2dafd45f2a0965
Source of Spectrum KC-0-3625-3
Synonyms (E,4S,5R)-4-[(ethylthio)-oxomethyl]-5-hydroxy-7-phenyl-6-heptenoic acid ethyl ester Ethyl (E,4S,5R)-4-ethylsulfanylcarbonyl-5-hydroxy-7-phenyl-hept-6-enoate Ethyl (E,4S,5R)-4-ethylsulfanylcarbonyl-5-oxidanyl-7-phenyl-hept-6-enoate
Wiley ID 831917