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(4S,5R)-4-(ethylthio)carbonyl-5-hydroxy-7-phenyl-enanthic acid ethyl ester
SpectraBase Compound ID FW4thheT59M
InChI InChI=1S/C18H26O4S/c1-3-22-17(20)13-11-15(18(21)23-4-2)16(19)12-10-14-8-6-5-7-9-14/h5-9,15-16,19H,3-4,10-13H2,1-2H3/t15-,16+/m0/s1
InChIKey ZCUMWUKHXZMDCZ-JKSUJKDBSA-N
Mol Weight 338.46 g/mol
Molecular Formula C18H26O4S
Exact Mass 338.15518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CvUz8eHLPUv
Name (4S,5R)-4-(ethylthio)carbonyl-5-hydroxy-7-phenyl-enanthic acid ethyl ester
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Formula C18H26O4S
InChI InChI=1S/C18H26O4S/c1-3-22-17(20)13-11-15(18(21)23-4-2)16(19)12-10-14-8-6-5-7-9-14/h5-9,15-16,19H,3-4,10-13H2,1-2H3/t15-,16+/m0/s1
InChIKey ZCUMWUKHXZMDCZ-JKSUJKDBSA-N
Molecular Weight 338.462 g/mol
SMILES O[C@@]([C@@](C(=O)SCC)(CCC(=O)OCC)[H])(CCc1ccccc1)[H]
SPLASH splash10-052f-9300000000-a30dd50a0a4a1730b254
Source of Spectrum KC-0-3624-3
Synonyms (4S,5R)-4-[(ethylthio)-oxomethyl]-5-hydroxy-7-phenylheptanoic acid ethyl ester Ethyl (4S,5R)-4-ethylsulfanylcarbonyl-5-oxidanyl-7-phenyl-heptanoate Ethyl (4S,5R)-4-ethylsulfanylcarbonyl-5-hydroxy-7-phenylheptanoate
Wiley ID 831921