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(E)-2-(cyanomethyl)-4-(2-methyl-1,3-dioxolan-2-yl)-3-(N-(phenylmethyl)anilino)-2-butenoic acid ethyl ester
SpectraBase Compound ID ZXJW6eR5fj
InChI InChI=1S/C25H28N2O4/c1-3-29-24(28)22(14-15-26)23(18-25(2)30-16-17-31-25)27(21-12-8-5-9-13-21)19-20-10-6-4-7-11-20/h4-13H,3,14,16-19H2,1-2H3/b23-22+
InChIKey DTDGXENHCWQMTF-GHVJWSGMSA-N
Mol Weight 420.51 g/mol
Molecular Formula C25H28N2O4
Exact Mass 420.204907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FWTU3gUkQnK
Name (E)-2-(cyanomethyl)-4-(2-methyl-1,3-dioxolan-2-yl)-3-(N-(phenylmethyl)anilino)-2-butenoic acid ethyl ester
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Formula C25H28N2O4
InChI InChI=1S/C25H28N2O4/c1-3-29-24(28)22(14-15-26)23(18-25(2)30-16-17-31-25)27(21-12-8-5-9-13-21)19-20-10-6-4-7-11-20/h4-13H,3,14,16-19H2,1-2H3/b23-22+
InChIKey DTDGXENHCWQMTF-GHVJWSGMSA-N
Molecular Weight 420.509 g/mol
SMILES C(\C(=C/(N(Cc1ccccc1)c1ccccc1)CC1(OCCO1)C)CC#N)(=O)OCC
SPLASH splash10-00gi-1665900000-e5fe5a09de0e28bceddb
Source of Spectrum SK-27-1842-6
Synonyms (E)-3-(N-benzylanilino)-2-(cyanomethyl)-4-(2-methyl-1,3-dioxolan-2-yl)but-2-enoic acid ethyl ester Ethyl (E)-2-(cyanomethyl)-4-(2-methyl-1,3-dioxolan-2-yl)-3-[phenyl-(phenylmethyl)amino]but-2-enoate Ethyl (E)-3-(N-benzylanilino)-2-(cyanomethyl)-4-(2-methyl-1,3-dioxolan-2-yl)but-2-enoate
Wiley ID 867881