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(3.alpha.,4.beta.,6.alpha.)-(+-)-3-[(2,2-Dimethylpropyl)-6-methyl-4[(phenylthio)methyl]tetrahydro-2H-pyran-2-one
SpectraBase Compound ID 6kjHz39QeER
InChI InChI=1S/C18H26O2S/c1-13-10-14(12-21-15-8-6-5-7-9-15)16(17(19)20-13)11-18(2,3)4/h5-9,13-14,16H,10-12H2,1-4H3/t13-,14+,16+/m0/s1
InChIKey WCZFDSJULUWHSK-SQWLQELKSA-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 7augWs0BJpR
Name (3.alpha.,4.beta.,6.alpha.)-(+-)-3-[(2,2-Dimethylpropyl)-6-methyl-4[(phenylthio)methyl]tetrahydro-2H-pyran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O2S
InChI InChI=1S/C18H26O2S/c1-13-10-14(12-21-15-8-6-5-7-9-15)16(17(19)20-13)11-18(2,3)4/h5-9,13-14,16H,10-12H2,1-4H3/t13-,14+,16+/m0/s1
InChIKey WCZFDSJULUWHSK-SQWLQELKSA-N
Molecular Weight 306.464 g/mol
SMILES C1([C@@]([C@@](CSc2ccccc2)(C[C@@](O1)(C)[H])[H])(CC(C)(C)C)[H])=O
SPLASH splash10-0aba-6955000000-66b33b68099b3ba0f114
Source of Spectrum C-118-9839-12
Synonyms (3.alpha.,4.beta.,6.alpha.)-(+-)-3-[(2,2-Dimethylpropyl)-6-metyhyl-4[(phenylthio)methyl]tetrahydro-2H-pyran-2-one (3R,4S,6S)-6-methyl-3-neopentyl-4-[(phenylsulfanyl)methyl]tetrahydro-2H-pyran-2-one
Wiley ID 759988