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5-[(E)-3-ketobut-1-enyl]thiophene-2-carbaldehyde
SpectraBase Compound ID IAdR2bLJmL2
InChI InChI=1S/C9H8O2S/c1-7(11)2-3-8-4-5-9(6-10)12-8/h2-6H,1H3/b3-2+
InChIKey TZAFCCJJERWCPG-NSCUHMNNSA-N
Mol Weight 180.22 g/mol
Molecular Formula C9H8O2S
Exact Mass 180.024501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2R2fPxQ0Om
Name 5-[(E)-3-ketobut-1-enyl]thiophene-2-carbaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8O2S
InChI InChI=1S/C9H8O2S/c1-7(11)2-3-8-4-5-9(6-10)12-8/h2-6H,1H3/b3-2+
InChIKey TZAFCCJJERWCPG-NSCUHMNNSA-N
Molecular Weight 180.221 g/mol
SMILES c1(sc(cc1)C=O)\C=C\C(=O)C
SPLASH splash10-0gc0-1900000000-1a9fadf343f68a34a355
Source of Spectrum K1-2000-1658-4
Synonyms 5-[(E)-3-oxidanylidenebut-1-enyl]thiophene-2-carbaldehyde 5-[(E)-3-oxobut-1-enyl]-2-thiophenecarboxaldehyde 5-[(E)-3-oxobut-1-enyl]thiophene-2-carbaldehyde
Wiley ID 750106