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3-Acetylthiophene
SpectraBase Compound ID Hq3QCfcivOF
InChI InChI=1S/C6H6OS/c1-5(7)6-2-3-8-4-6/h2-4H,1H3
InChIKey RNIDWJDZNNVFDY-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 1LsydEWvQAD
Name 1-(3-thienyl)-Ethanone
Carrier Gas Helium (1 mL/min)
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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(7)6-2-3-8-4-6/h2-4H,1H3
InChIKey RNIDWJDZNNVFDY-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 811
SMILES C=1SC=C(C1)C(=O)C
SPLASH splash10-03di-7900000000-1107c773a697111b9d32
Source of Spectrum JAFC-70-SM14-14-2 (DOI: 10.1021/acs.jafc.1c04415)
Wiley ID 1911494