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1,1-diketo-6-methoxy-2-phenyl-thiochromen-4-one
SpectraBase Compound ID 1335GfX9BNi
InChI InChI=1S/C16H12O4S/c1-20-12-7-8-15-13(9-12)14(17)10-16(21(15,18)19)11-5-3-2-4-6-11/h2-10H,1H3
InChIKey YHQMSMNIIURHNR-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 ECWVFYi3JIN
Name 1,1-diketo-6-methoxy-2-phenyl-thiochromen-4-one
Alternate Name(s) 6-methoxy-1,1-bis(oxidanylidene)-2-phenyl-thiochromen-4-one 6-methoxy-1,1-dioxo-2-phenyl-1-benzothiopyran-4-one 6-methoxy-1,1-dioxo-2-phenyl-thiochromen-4-one
CAS Registry Number 96156-19-3
Comments Less than 3 mono-isotopic peaks
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Formula C16H12O4S
InChI InChI=1S/C16H12O4S/c1-20-12-7-8-15-13(9-12)14(17)10-16(21(15,18)19)11-5-3-2-4-6-11/h2-10H,1H3
InChIKey YHQMSMNIIURHNR-UHFFFAOYSA-N
Molecular Weight 300.328 g/mol
SMILES C=1(S(c2c(C(C1)=O)cc(cc2)OC)(=O)=O)c1ccccc1
SPLASH splash10-0udi-0109000000-30e1b34ee8663fd97eb6
Source of Spectrum Y-22-1594-12
Wiley ID 1302685