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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 JDgC4lJZWS
Name 5-Methyl-2-thiophenecarboxaldehyde
Carrier Gas Helium (1 mL/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 126.013935986 u
Formula C6H6OS
GC Column DB-5ms (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 250oC
InChI InChI=1S/C6H6OS/c1-5-2-3-6(4-7)8-5/h2-4H,1H3
InChIKey VAUMDUIUEPIGHM-UHFFFAOYSA-N
Instrument Name Agilent series 7890B
Ionization Type EI
Literature Reference DOI 10.1021/acs.jafc.1c04415
Molecular Weight 126.173 g/mol
Quality 952
SMILES C=1(SC(=CC1)C=O)C
SPLASH splash10-004i-8900000000-be94112cf6c216a1c5c6
Source of Spectrum JAFC-70-SM15-15-1 (DOI: 10.1021/acs.jafc.1c04415)
Wiley ID 1911495