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1,1-diketo-5-methoxy-2-phenyl-thiochromen-4-one
SpectraBase Compound ID g6TowA8bUW
InChI InChI=1S/C16H12O4S/c1-20-13-8-5-9-14-16(13)12(17)10-15(21(14,18)19)11-6-3-2-4-7-11/h2-10H,1H3
InChIKey RNWBRJMDLNKICF-UHFFFAOYSA-N
Mol Weight 300.33 g/mol
Molecular Formula C16H12O4S
Exact Mass 300.04563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7kjKDBddw5H
Name 1,1-diketo-5-methoxy-2-phenyl-thiochromen-4-one
CAS Registry Number 96156-18-2
Comments Less than 3 mono-isotopic peaks
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Formula C16H12O4S
InChI InChI=1S/C16H12O4S/c1-20-13-8-5-9-14-16(13)12(17)10-15(21(14,18)19)11-6-3-2-4-7-11/h2-10H,1H3
InChIKey RNWBRJMDLNKICF-UHFFFAOYSA-N
Molecular Weight 300.328 g/mol
SMILES C=1(S(c2c(C(C1)=O)c(ccc2)OC)(=O)=O)c1ccccc1
SPLASH splash10-0udi-0009000000-08807515b3b0515052a6
Source of Spectrum Y-22-1594-12
Synonyms 5-methoxy-1,1-bis(oxidanylidene)-2-phenyl-thiochromen-4-one 5-methoxy-1,1-dioxo-2-phenyl-1-benzothiopyran-4-one 5-methoxy-1,1-dioxo-2-phenyl-thiochromen-4-one
Wiley ID 1302684