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2-Benzylthio-4-oxo-4H-1-benzothiin-3-carbaldehyde
SpectraBase Compound ID AXs0mjf4raP
InChI InChI=1S/C17H12O2S2/c18-10-14-16(19)13-8-4-5-9-15(13)21-17(14)20-11-12-6-2-1-3-7-12/h1-10H,11H2
InChIKey WFKWLKNRHAZFIU-UHFFFAOYSA-N
Mol Weight 312.4 g/mol
Molecular Formula C17H12O2S2
Exact Mass 312.027872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C2Zmtcd092G
Name 2-Benzylthio-4-oxo-4H-1-benzothiin-3-carbaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12O2S2
InChI InChI=1S/C17H12O2S2/c18-10-14-16(19)13-8-4-5-9-15(13)21-17(14)20-11-12-6-2-1-3-7-12/h1-10H,11H2
InChIKey WFKWLKNRHAZFIU-UHFFFAOYSA-N
Molecular Weight 312.401 g/mol
SMILES C1(=C(Sc2c(C1=O)cccc2)SCc1ccccc1)C=O
SPLASH splash10-00di-0091000000-bd88b2c42f1b348e0aa6
Source of Spectrum SO-0-668-4
Synonyms 2-(benzylsulfanyl)-4-oxo-4H-1-benzothiopyran-3-carbaldehyde
Wiley ID 1543430