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(E)-3-{2-[Benzyl-((Z)-but-2-enyl)-amino]-4-oxo-4H-chromen-3-yl}-acrylic acid ethyl ester
SpectraBase Compound ID C83peoYFi0S
InChI InChI=1S/C25H25NO4/c1-3-5-17-26(18-19-11-7-6-8-12-19)25-21(15-16-23(27)29-4-2)24(28)20-13-9-10-14-22(20)30-25/h3,5-16H,4,17-18H2,1-2H3/b5-3-,16-15+
InChIKey YMOMZGSKXCUDKT-HXDZWOGFSA-N
Mol Weight 403.48 g/mol
Molecular Formula C25H25NO4
Exact Mass 403.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BJCP4hBReY9
Name (E)-3-{2-[Benzyl-((Z)-but-2-enyl)-amino]-4-oxo-4H-chromen-3-yl}-acrylic acid ethyl ester
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Formula C25H25NO4
InChI InChI=1S/C25H25NO4/c1-3-5-17-26(18-19-11-7-6-8-12-19)25-21(15-16-23(27)29-4-2)24(28)20-13-9-10-14-22(20)30-25/h3,5-16H,4,17-18H2,1-2H3/b5-3-,16-15+
InChIKey YMOMZGSKXCUDKT-HXDZWOGFSA-N
Molecular Weight 403.478 g/mol
SMILES C1(=C(Oc2c(C1=O)cccc2)N(Cc1ccccc1)C\C=C/C)\C=C\C(=O)OCC
SPLASH splash10-0036-0092000000-c6ec77efdd02b51fe84f
Source of Spectrum H-86-177-16
Synonyms Ethyl (2E)-3-(2-{benzyl[(2Z)-2-butenyl]amino}-4-oxo-4H-chromen-3-yl)-2-propenoate Ethyl 3-[4'-oxo-2'-[benzyl(but-2''-enyl)amino]-4H-[1]-benzopyran-3'-yl]prop-2-enoate-carboxaldehyde
Wiley ID 1525225