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6-Chloro-2-benzylthio-4-oxo-4H-1-benzothiin-3-carbaldehyde
SpectraBase Compound ID Jm8wlCv6JDw
InChI InChI=1S/C17H11ClO2S2/c18-12-6-7-15-13(8-12)16(20)14(9-19)17(22-15)21-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey KHIJMQZQBMXJDY-UHFFFAOYSA-N
Mol Weight 346.85 g/mol
Molecular Formula C17H11ClO2S2
Exact Mass 345.9889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3X689ka7pGF
Name 6-Chloro-2-benzylthio-4-oxo-4H-1-benzothiin-3-carbaldehyde
Alternate Name(s) 2-(benzylsulfanyl)-6-chloro-4-oxo-4H-1-benzothiopyran-3-carbaldehyde
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Formula C17H11ClO2S2
InChI InChI=1S/C17H11ClO2S2/c18-12-6-7-15-13(8-12)16(20)14(9-19)17(22-15)21-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey KHIJMQZQBMXJDY-UHFFFAOYSA-N
Molecular Weight 346.846 g/mol
SMILES C=1(Sc2c(C(C1C=O)=O)cc(cc2)Cl)SCc1ccccc1
SPLASH splash10-0a4i-0092000000-f35abbc4e3a84b17c0ba
Source of Spectrum SO-0-668-4
Wiley ID 1543426