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5-Methyl-2-thiophenecarboxaldehyde
SpectraBase Compound ID BTSSA73ZQsj
InChI InChI=1S/C6H6OS/c1-5-2-3-6(4-7)8-5/h2-4H,1H3
InChIKey VAUMDUIUEPIGHM-UHFFFAOYSA-N
Mol Weight 126.17 g/mol
Molecular Formula C6H6OS
Exact Mass 126.013936 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C3u2NPHGAXN
Name Thiophene <2-formyl-, 5-methyl->
Source of Sample SAFC Cat.no. W320900
CAS Registry Number 13679-70-4
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 126.013935986 u
Formula C6H6OS
InChI InChI=1S/C6H6OS/c1-5-2-3-6(4-7)8-5/h2-4H,1H3
InChIKey VAUMDUIUEPIGHM-UHFFFAOYSA-N
Molecular Weight 126.173 g/mol
Number of Peaks 50
RI1 1120
RI2 797
SMILES c1(ccc(s1)C)C=O
SPLASH splash10-004i-7900000000-8619f9a0aa4a8c46bf30
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 2-Thiophenecarboxaldehyde, 5-methyl-
Wiley ID LM_FFNSC3_765