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1,4-Butanedithiol
SpectraBase Compound ID 6emQdYU85EH
InChI InChI=1S/C4H10S2/c5-3-1-2-4-6/h5-6H,1-4H2
InChIKey SMTOKHQOVJRXLK-UHFFFAOYSA-N
Mol Weight 122.24 g/mol
Molecular Formula C4H10S2
Exact Mass 122.022393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GBKvmfnpDsN
Name Butane <1,4-dimercapto->
Source of Sample SAFC Cat.no. W520802
CAS Registry Number 1191-08-8
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 122.022392670 u
Formula C4H10S2
InChI InChI=1S/C4H10S2/c5-3-1-2-4-6/h5-6H,1-4H2
InChIKey SMTOKHQOVJRXLK-UHFFFAOYSA-N
Molecular Weight 122.244 g/mol
Number of Peaks 50
RI1 1056
RI2 729
RI3 953
RI4 909
RI5 1019
SMILES SCCCCS
SPLASH splash10-06rb-9000000000-3af41b23a484f3b59e41
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 1,4-Butanedithiol
Wiley ID LM_FFNSC3_34