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2-Cyano-3-(4,4-dimethyl-2,6-dioxo-cyclohexylidene)-3-(4-hydroxy-phenyl)-propionic acid methyl ester
SpectraBase Compound ID BVn7VWRAzpA
InChI InChI=1S/C19H19NO5/c1-19(2)8-14(22)17(15(23)9-19)16(13(10-20)18(24)25-3)11-4-6-12(21)7-5-11/h4-7,13,21H,8-9H2,1-3H3
InChIKey LJIDEIIKTAZZTL-UHFFFAOYSA-N
Mol Weight 341.36 g/mol
Molecular Formula C19H19NO5
Exact Mass 341.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kh6oFNKXh2k
Name 2-Cyano-3-(4,4-dimethyl-2,6-dioxo-cyclohexylidene)-3-(4-hydroxy-phenyl)-propionic acid methyl ester
Alternate Name(s) 2-cyano-3-(2,6-diketo-4,4-dimethyl-cyclohexylidene)-3-(4-hydroxyphenyl)propionic acid methyl ester 2-cyano-3-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-(4-hydroxyphenyl)propanoic acid methyl ester Methyl 2-cyano-3-(4,4-dimethyl-2,6-dioxo-cyclohexylidene)-3-(4-hydroxyphenyl)propanoate Methyl 2-cyano-3-[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]-3-(4-hydroxyphenyl)propanoate
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Formula C19H19NO5
InChI InChI=1S/C19H19NO5/c1-19(2)8-14(22)17(15(23)9-19)16(13(10-20)18(24)25-3)11-4-6-12(21)7-5-11/h4-7,13,21H,8-9H2,1-3H3
InChIKey LJIDEIIKTAZZTL-UHFFFAOYSA-N
Molecular Weight 341.363 g/mol
SMILES Oc1ccc(C(=C2C(CC(CC2=O)(C)C)=O)C(C(=O)OC)C#N)cc1
SPLASH splash10-001i-3692000000-28f8b04bcff1abcc5e6d
Wiley ID 1460726