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Octyl sulfide

View entire compound with spectra: 4 NMR, 3 FTIR, and 5 MS (GC)

Octyl sulfide
SpectraBase Compound ID 9VUPTrMVxjd
InChI InChI=1S/C16H34S/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
InChIKey LOXRGHGHQYWXJK-UHFFFAOYSA-N
Mol Weight 258.5 g/mol
Molecular Formula C16H34S
Exact Mass 258.238122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IAUBctRgMFm
Name Octane, 1,1'-thiobis-
CAS Registry Number 2690-08-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H34S
InChI InChI=1S/C16H34S/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
InChIKey LOXRGHGHQYWXJK-UHFFFAOYSA-N
Molecular Weight 258.508 g/mol
SMILES CCCCCCCCSCCCCCCCC
SPLASH splash10-0a4m-9200000000-d0b53da809eb23e025c1
Source of Spectrum AD-0-3373-0
Synonyms 1-(Octylsulfanyl)octane 1-(Octylthio)octane 9-Thiaheptadecane Bis(1-octyl) sulfide Di-n-octyl sulfide Di-n-octyl thioether Dioctyl sulfide Dioctyl sulphide Dioctyl thioether n-Octyl sulfide Octyl sulfide AI3-12172 EINECS 220-259-5 NSC 65459
Wiley ID 36835