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(4R,5S)-4-(ethylthio)carbonyl-5-hydroxy-5-phenyl-valeric acid ethyl ester
SpectraBase Compound ID 5V0rG0GBhx
InChI InChI=1S/C16H22O4S/c1-3-20-14(17)11-10-13(16(19)21-4-2)15(18)12-8-6-5-7-9-12/h5-9,13,15,18H,3-4,10-11H2,1-2H3/t13-,15-/m1/s1
InChIKey JEDMPTLOAGZPQH-UKRRQHHQSA-N
Mol Weight 310.41 g/mol
Molecular Formula C16H22O4S
Exact Mass 310.12388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C5T8dw4XqP
Name (4R,5S)-4-(ethylthio)carbonyl-5-hydroxy-5-phenyl-valeric acid ethyl ester
Alternate Name(s) (4R,5S)-4-[(ethylthio)-oxomethyl]-5-hydroxy-5-phenylpentanoic acid ethyl ester Ethyl (4R,5S)-4-ethylsulfanylcarbonyl-5-hydroxy-5-phenyl-pentanoate Ethyl (4R,5S)-4-ethylsulfanylcarbonyl-5-oxidanyl-5-phenyl-pentanoate
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Formula C16H22O4S
InChI InChI=1S/C16H22O4S/c1-3-20-14(17)11-10-13(16(19)21-4-2)15(18)12-8-6-5-7-9-12/h5-9,13,15,18H,3-4,10-11H2,1-2H3/t13-,15-/m1/s1
InChIKey JEDMPTLOAGZPQH-UKRRQHHQSA-N
Molecular Weight 310.408 g/mol
SMILES O[C@@]([C@](C(=O)SCC)(CCC(=O)OCC)[H])(c1ccccc1)[H]
SPLASH splash10-05px-2900000000-d5674570488376f2a11e
Source of Spectrum J-62-6689-9
Wiley ID 1311391