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Methyl phenyl sulfide
SpectraBase Compound ID AkDENQJqcFC
InChI InChI=1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
InChIKey HNKJADCVZUBCPG-UHFFFAOYSA-N
Mol Weight 124.2 g/mol
Molecular Formula C7H8S
Exact Mass 124.034671 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6dgNLwpnkgv
Name Sulfide
Source of Sample SAFC Cat.no. 88470
CAS Registry Number 100-68-5
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 124.034671432 u
Formula C7H8S
InChI InChI=1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
InChIKey HNKJADCVZUBCPG-UHFFFAOYSA-N
Molecular Weight 124.201 g/mol
Number of Peaks 50
RI1 1085
RI2 759
RI3 969
RI4 925
SMILES c1cc(ccc1)SC
SPLASH splash10-00fr-9600000000-cf630b6c65ff66f4587d
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 Benzene, (methylthio)-
Wiley ID LM_FFNSC3_418