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Isopropyl sulfide
SpectraBase Compound ID K4BFN26Jcbh
InChI InChI=1S/C6H14S/c1-5(2)7-6(3)4/h5-6H,1-4H3
InChIKey XYWDPYKBIRQXQS-UHFFFAOYSA-N
Mol Weight 118.24 g/mol
Molecular Formula C6H14S
Exact Mass 118.081622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KKxFhqBZVNe
Name Sulfide
CAS Registry Number 625-80-9
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 118.081621625 u
Formula C6H14S
InChI InChI=1S/C6H14S/c1-5(2)7-6(3)4/h5-6H,1-4H3
InChIKey XYWDPYKBIRQXQS-UHFFFAOYSA-N
Molecular Weight 118.238 g/mol
Number of Peaks 48
RI1 792
RI2 449
SMILES CC(SC(C)C)C
SPLASH splash10-01ox-9300000000-b587ed9bfa0d673c9d4a
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Propane, 2,2'-thiobis-
Wiley ID LM_FFNSC3_1848