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2-Phenylthiomethyl-3(S)-methoxycarbonyl-4(R)-pentyl-.gamma-butyrolactone
SpectraBase Compound ID 9GusyBOrw56
InChI InChI=1S/C18H24O4S/c1-3-4-6-11-15-16(18(20)21-2)14(17(19)22-15)12-23-13-9-7-5-8-10-13/h5,7-10,14-16H,3-4,6,11-12H2,1-2H3/t14?,15-,16+/m1/s1
InChIKey FLUDNLGKISBJEO-JAIYHHTPSA-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 ACUeDNEGkAI
Name 2-Phenylthiomethyl-3(S)-methoxycarbonyl-4(R)-pentyl-.gamma-butyrolactone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O4S
InChI InChI=1S/C18H24O4S/c1-3-4-6-11-15-16(18(20)21-2)14(17(19)22-15)12-23-13-9-7-5-8-10-13/h5,7-10,14-16H,3-4,6,11-12H2,1-2H3/t14?,15-,16+/m1/s1
InChIKey FLUDNLGKISBJEO-JAIYHHTPSA-N
Molecular Weight 336.446 g/mol
SMILES C1([C@@]([C@@](CCCCC)(OC1=O)[H])(C(=O)OC)[H])CSc1ccccc1
SPLASH splash10-0019-2903000000-54466c1eb8c7f8dbac0a
Source of Spectrum QC-6-891-9
Synonyms Methyl (2R,3S)-5-oxo-2-pentyl-4-[(phenylsulfanyl)methyl]tetrahydro-3-furancarboxylate
Wiley ID 868820