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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 AqrdDcePtms
Name 5-Methyl-2-thiophenecarboxaldehyde
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
Instrument Name Hewlett-Packard 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/jsfa.4189
Molecular Weight 126.173 g/mol
Number of Peaks 6
SMILES c1(ccc(s1)C)C=O
SPLASH splash10-004i-4900000000-8e7b7ee2585396ad9e37
Source of Spectrum SFA-91-327-Table 1-Entry 16 (DOI: 10.1002/jsfa.4189)
Wiley ID 1838637