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Octane, 1-(butylthio)-
SpectraBase Compound ID 94RBvc3jOTI
InChI InChI=1S/C12H26S/c1-3-5-7-8-9-10-12-13-11-6-4-2/h3-12H2,1-2H3
InChIKey UNIAPWPIAGJFDG-UHFFFAOYSA-N
Mol Weight 202.4 g/mol
Molecular Formula C12H26S
Exact Mass 202.175522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KQHGvHGpCLE
Name Octane, 1-(butylthio)-
CAS Registry Number 16900-07-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H26S
InChI InChI=1S/C12H26S/c1-3-5-7-8-9-10-12-13-11-6-4-2/h3-12H2,1-2H3
InChIKey UNIAPWPIAGJFDG-UHFFFAOYSA-N
Molecular Weight 202.400 g/mol
SMILES C(SCCCC)CCCCCCC
SPLASH splash10-0a4i-9100000000-e4667913af0d940a7b9f
Source of Spectrum JX-2015-6-3013
Synonyms 1-(Butylsulfanyl)octane 1-(Butylthio)octane Butyl octyl sulphide 5-Thiatridecane Butyl octyl sulfide Sulfide, butyl octyl Butyl(octyl)sulfane 1-Butylsulfanyloctane
Wiley ID 1728459