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2-Methylthiophene
SpectraBase Compound ID JoPdruw0o22
InChI InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3
InChIKey XQQBUAPQHNYYRS-UHFFFAOYSA-N
Mol Weight 98.16 g/mol
Molecular Formula C5H6S
Exact Mass 98.019021 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 21NGKxKLlQN
Name Thiophene
CAS Registry Number 554-14-3
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 98.019021367 u
Formula C5H6S
InChI InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3
InChIKey XQQBUAPQHNYYRS-UHFFFAOYSA-N
Molecular Weight 98.163 g/mol
Number of Peaks 50
RI1 770
RI2 435
SMILES c1cc(sc1)C
SPLASH splash10-0002-9000000000-c029fd000deed41d7bad
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 Thiophene, 2-methyl-
Wiley ID LM_FFNSC3_1651