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(4R*,5S*)4,5-dihydroxy-4-methyl-6-phenylthiohexanoic 1,4-lactone
SpectraBase Compound ID KvtpS3LYBub
InChI InChI=1S/C13H16O3S/c1-13(8-7-12(15)16-13)11(14)9-17-10-5-3-2-4-6-10/h2-6,11,14H,7-9H2,1H3/t11-,13-/m1/s1
InChIKey TVDLPKIJPSGMSD-DGCLKSJQSA-N
Mol Weight 252.33 g/mol
Molecular Formula C13H16O3S
Exact Mass 252.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4UGp7vPRYoD
Name (4R*,5S*)4,5-dihydroxy-4-methyl-6-phenylthiohexanoic 1,4-lactone
CAS Registry Number 67884-52-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3S
InChI InChI=1S/C13H16O3S/c1-13(8-7-12(15)16-13)11(14)9-17-10-5-3-2-4-6-10/h2-6,11,14H,7-9H2,1H3/t11-,13-/m1/s1
InChIKey TVDLPKIJPSGMSD-DGCLKSJQSA-N
Molecular Weight 252.328 g/mol
SMILES O[C@@]([C@@]1(OC(=O)CC1)C)(CSc1ccccc1)[H]
SPLASH splash10-0002-9320000000-e5ee9375699e8804c7c0
Source of Spectrum C-100-5523-0
Synonyms 2(3H)-Furanone, dihydro-5-[1-hydroxy-2-(phenylthio)ethyl]-5-methyl-, (R*,S*)- (4R*,5R*)-4,5-dihydroxy-4-methyl-6-phenylthiohexanoic 1,4 lactone (5R)-5-[(1S)-1-hydroxy-2-(phenylsulfanyl)ethyl]-5-methyloxolan-2-one
Wiley ID 1255294