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(3.alpha.,4.beta.,5.beta.,6.alpha.)-(+-)-3-[(2,2-Dimethylpropyl)tetrahydro-5,6-dimethyl-4-[(phenylthio)methyl]-2H-pyran-2-one

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(3.alpha.,4.beta.,5.beta.,6.alpha.)-(+-)-3-[(2,2-Dimethylpropyl)tetrahydro-5,6-dimethyl-4-[(phenylthio)methyl]-2H-pyran-2-one
SpectraBase Compound ID 6OEud29kASS
InChI InChI=1S/C19H28O2S/c1-13-14(2)21-18(20)16(11-19(3,4)5)17(13)12-22-15-9-7-6-8-10-15/h6-10,13-14,16-17H,11-12H2,1-5H3/t13-,14-,16+,17-/m0/s1
InChIKey LGGDSIFNHWDIBK-DIECFANBSA-N
Mol Weight 320.49 g/mol
Molecular Formula C19H28O2S
Exact Mass 320.181001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1azuRC2IKpX
Name (3.alpha.,4.beta.,5.beta.,6.alpha.)-(+-)-3-[(2,2-Dimethylpropyl)tetrahydro-5,6-dimethyl-4-[(phenylthio)methyl]-2H-pyran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O2S
InChI InChI=1S/C19H28O2S/c1-13-14(2)21-18(20)16(11-19(3,4)5)17(13)12-22-15-9-7-6-8-10-15/h6-10,13-14,16-17H,11-12H2,1-5H3/t13-,14-,16+,17-/m0/s1
InChIKey LGGDSIFNHWDIBK-DIECFANBSA-N
Molecular Weight 320.491 g/mol
SMILES C1(O[C@@](C)([C@@]([C@@]([C@]1(CC(C)(C)C)[H])(CSc1ccccc1)[H])(C)[H])[H])=O
SPLASH splash10-0a4i-9110000000-8f0e838a840558314a08
Source of Spectrum C-118-9839-16
Synonyms (3R,4S,5R,6S)-5,6-dimethyl-3-neopentyl-4-[(phenylsulfanyl)methyl]tetrahydro-2H-pyran-2-one
Wiley ID 759987