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(3R,4S)-2,2,3-Trimethyl-4-[3'-(phenylthio)-2',2'-dimethylpropyl]-tetrahydrofuran-5-one
SpectraBase Compound ID L1NqJXYhTUr
InChI InChI=1S/C18H26O2S/c1-13-15(16(19)20-18(13,4)5)11-17(2,3)12-21-14-9-7-6-8-10-14/h6-10,13,15H,11-12H2,1-5H3/t13-,15+/m1/s1
InChIKey OXNNATYZZZVXOR-HIFRSBDPSA-N
Mol Weight 306.46 g/mol
Molecular Formula C18H26O2S
Exact Mass 306.165351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bh37owqsLYg
Name (3R,4S)-2,2,3-Trimethyl-4-[3'-(phenylthio)-2',2'-dimethylpropyl]-tetrahydrofuran-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O2S
InChI InChI=1S/C18H26O2S/c1-13-15(16(19)20-18(13,4)5)11-17(2,3)12-21-14-9-7-6-8-10-14/h6-10,13,15H,11-12H2,1-5H3/t13-,15+/m1/s1
InChIKey OXNNATYZZZVXOR-HIFRSBDPSA-N
Molecular Weight 306.464 g/mol
SMILES C1(OC(C)(C)[C@@]([C@@]1(CC(CSc1ccccc1)(C)C)[H])(C)[H])=O
SPLASH splash10-0a4l-4904000000-cc2961bef91857f3ed1f
Source of Spectrum D1-1996-700-3
Synonyms 2,2,3-Trimethyl-4-[3'-(phenylthio)-2',2'-dimethylpropyl]-tetrahydrofuran-5-one 3-[2,2-dimethyl-3-(phenylsulfanyl)propyl]-4,5,5-trimethyldihydro-2(3H)-furanone
Wiley ID 834747