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(E)-3-(7-hydroxy-2-keto-3,4-dimethyl-chromen-6-yl)but-2-enoic acid ethyl ester
SpectraBase Compound ID 7pGwobetnQ0
InChI InChI=1S/C17H18O5/c1-5-21-16(19)6-9(2)12-7-13-10(3)11(4)17(20)22-15(13)8-14(12)18/h6-8,18H,5H2,1-4H3/b9-6+
InChIKey NFKBBDIKPAGMPJ-RMKNXTFCSA-N
Mol Weight 302.33 g/mol
Molecular Formula C17H18O5
Exact Mass 302.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 86oKVWQEoo2
Name (E)-3-(7-hydroxy-2-keto-3,4-dimethyl-chromen-6-yl)but-2-enoic acid ethyl ester
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Formula C17H18O5
InChI InChI=1S/C17H18O5/c1-5-21-16(19)6-9(2)12-7-13-10(3)11(4)17(20)22-15(13)8-14(12)18/h6-8,18H,5H2,1-4H3/b9-6+
InChIKey NFKBBDIKPAGMPJ-RMKNXTFCSA-N
Molecular Weight 302.326 g/mol
SMILES Oc1c(cc2C(=C(C(Oc2c1)=O)C)C)\C(=C\C(=O)OCC)C
SPLASH splash10-0pdi-0091000000-4c4531c57dd4bd1f2988
Source of Spectrum Y-31-176-5
Synonyms (E)-3-(7-hydroxy-3,4-dimethyl-2-oxo-1-benzopyran-6-yl)-2-butenoic acid ethyl ester Ethyl (E)-3-(3,4-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-6-yl)but-2-enoate Ethyl (E)-3-(7-hydroxy-3,4-dimethyl-2-oxo-chromen-6-yl)but-2-enoate
Wiley ID 761426