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trans-5-butyl-4-methyldihydrofuran-2(3H)-thione
SpectraBase Compound ID 7AerGtg6bAG
InChI InChI=1S/C9H16OS/c1-3-4-5-8-7(2)6-9(11)10-8/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKey IBXKFMLVUWMVDT-SFYZADRCSA-N
Mol Weight 172.29 g/mol
Molecular Formula C9H16OS
Exact Mass 172.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FohkRvGxFKQ
Name trans-5-butyl-4-methyldihydrofuran-2(3H)-thione
Classification Tetrahydrofurans
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 172.092186308 u
Formula C9H16OS
InChI InChI=1S/C9H16OS/c1-3-4-5-8-7(2)6-9(11)10-8/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKey IBXKFMLVUWMVDT-SFYZADRCSA-N
Molecular Weight 172.286 g/mol
Number of Peaks 14
SMILES C1(O[C@]([C@@](C1)(C)[H])(CCCC)[H])=S
SPLASH splash10-0a4j-9100000000-6fb0580060a3e3726edf
Source of Spectrum FF-21-178-7 (DOI: 10.1002/ffj.1559)
Synonyms trans-whiskythionolactone (4R,5S)-5-butyl-4-methyldihydrofuran-2(3H)-thione (4R,5S)-5-butyl-4-methyl-2-oxolanethione (4R,5S)-5-butyl-4-methyloxolane-2-thione (4R,5S)-5-butyl-4-methyl-oxolane-2-thione
Wiley ID 1775448