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4-Butylsulfanyl-heptan-2-one
SpectraBase Compound ID 6CN03iOLnZ9
InChI InChI=1S/C11H22OS/c1-4-6-8-13-11(7-5-2)9-10(3)12/h11H,4-9H2,1-3H3
InChIKey XPAUDXFESAXXIV-UHFFFAOYSA-N
Mol Weight 202.36 g/mol
Molecular Formula C11H22OS
Exact Mass 202.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 30LAG1wT0ZG
Name 4-Butylsulfanyl-heptan-2-one
Alternate Name(s) 4-(butylthio)heptan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H22OS
InChI InChI=1S/C11H22OS/c1-4-6-8-13-11(7-5-2)9-10(3)12/h11H,4-9H2,1-3H3
InChIKey XPAUDXFESAXXIV-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c1gc15790f
Molecular Weight 202.356 g/mol
SMILES C(CC)C(SCCCC)CC(=O)C
SPLASH splash10-0006-9400000000-fb29dbe53a34b2e67a83
Source of Spectrum GCH-13-3181/SMS9-18
Wiley ID 1760690