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1,3-Butanedithiol
SpectraBase Compound ID 1xX78BpEMY9
InChI InChI=1S/C4H10S2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3
InChIKey XMEPRJBZFCWFKN-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 KSDf6J57rEO
Name Butane <1,3-dimercapto->
Source of Sample SAFC Cat.no. W352918
CAS Registry Number 24330-52-7
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/c1-4(6)2-3-5/h4-6H,2-3H2,1H3
InChIKey XMEPRJBZFCWFKN-UHFFFAOYSA-N
Molecular Weight 122.244 g/mol
Number of Peaks 50
RI1 980
RI2 652
RI3 820
RI4 772
RI5 984
SMILES SCCC(C)S
SPLASH splash10-0btj-9000000000-9d39d2fb22a1053f19fe
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 1,3-Butanedithiol
Wiley ID LM_FFNSC3_199