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3-methyl-5-(5-methylthiophen-2-yl)pentan-1-ol
SpectraBase Compound ID BWI8S0xKPei
InChI InChI=1S/C11H18OS/c1-9(7-8-12)3-5-11-6-4-10(2)13-11/h4,6,9,12H,3,5,7-8H2,1-2H3
InChIKey OCIMDUCSHINQHD-UHFFFAOYSA-N
Mol Weight 198.32 g/mol
Molecular Formula C11H18OS
Exact Mass 198.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KlMkEDqr6qZ
Name 3-methyl-5-(5-methylthiophen-2-yl)pentan-1-ol
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 198.107836373 u
Formula C11H18OS
InChI InChI=1S/C11H18OS/c1-9(7-8-12)3-5-11-6-4-10(2)13-11/h4,6,9,12H,3,5,7-8H2,1-2H3
InChIKey OCIMDUCSHINQHD-UHFFFAOYSA-N
Instrument Name Thermo DSQ II
Ionization Type EI
Literature Reference DOI 10.1002/jsfa.3696
Molecular Weight 198.324 g/mol
Number of Peaks 10
SMILES OCCC(CCc1ccc(s1)C)C
SPLASH splash10-03di-0900000000-e0af656390578c2f2261
Source of Spectrum SFA-89-2092-Alcohol 11 (DOI: 10.1002/jsfa.3696)
Wiley ID 1840279