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Crotmadine
SpectraBase Compound ID AIrbcJIj1pf
InChI InChI=1S/C20H20O4/c1-20(2)10-9-16-18(23)11-14(12-19(16)24-20)17(22)8-5-13-3-6-15(21)7-4-13/h3-8,11-12,21,23H,9-10H2,1-2H3/b8-5+
InChIKey GKSFZSNNMPWTAD-VMPITWQZSA-N
Mol Weight 324.38 g/mol
Molecular Formula C20H20O4
Exact Mass 324.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GlSp2uLbp4I
Name Crotmadine
Alternate Name(s) (2E)-1-(5-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-7-yl)-3-(4-hydroxyphenyl)-2-propen-1-one 5-Hydroxy-2,2-dimethyl-7-[1'-oxo-3'-(p-hydroxyphenyl)-2'-propenyl]-1,2,3,4-tetrahydrobenzopyran
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Formula C20H20O4
InChI InChI=1S/C20H20O4/c1-20(2)10-9-16-18(23)11-14(12-19(16)24-20)17(22)8-5-13-3-6-15(21)7-4-13/h3-8,11-12,21,23H,9-10H2,1-2H3/b8-5+
InChIKey GKSFZSNNMPWTAD-VMPITWQZSA-N
Molecular Weight 324.376 g/mol
SMILES Oc1c2c(cc(C(\C=C\c3ccc(cc3)O)=O)c1)OC(CC2)(C)C
SPLASH splash10-0aba-6942000000-97997a37fbc0343cad79
Source of Spectrum X2-47-590-1
Wiley ID 1601487