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Ethyl 2-(cyanomethyl)-3-(.alpha.-anilinobenzyl)-4-[1'-(methoxycarbonylmehtyl)-2',5'-dioxacyclopentyl)-2-butenoate
SpectraBase Compound ID ERozQXrCW6l
InChI InChI=1S/C27H30N2O6/c1-3-33-26(31)23(14-15-28)24(18-27(19-25(30)32-2)34-16-17-35-27)29(22-12-8-5-9-13-22)20-21-10-6-4-7-11-21/h4-13H,3,14,16-20H2,1-2H3/b24-23+
InChIKey OHGYCNVGQMTWBV-WCWDXBQESA-N
Mol Weight 478.55 g/mol
Molecular Formula C27H30N2O6
Exact Mass 478.210387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ceRkFMvcZk
Name Ethyl 2-(cyanomethyl)-3-(.alpha.-anilinobenzyl)-4-[1'-(methoxycarbonylmehtyl)-2',5'-dioxacyclopentyl)-2-butenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30N2O6
InChI InChI=1S/C27H30N2O6/c1-3-33-26(31)23(14-15-28)24(18-27(19-25(30)32-2)34-16-17-35-27)29(22-12-8-5-9-13-22)20-21-10-6-4-7-11-21/h4-13H,3,14,16-20H2,1-2H3/b24-23+
InChIKey OHGYCNVGQMTWBV-WCWDXBQESA-N
Molecular Weight 478.545 g/mol
SMILES C(\C(=C/(N(Cc1ccccc1)c1ccccc1)CC1(CC(=O)OC)OCCO1)CC#N)(=O)OCC
SPLASH splash10-0005-4900100000-5c02c8055311a7dddcf6
Source of Spectrum SK-27-1843-6
Synonyms Ethyl 2-(cyanomethyl)-3-(.alpha.-anilinobenzyl)-4-[1'-(methoxycarbonylmethyl)-2',5'-dioxacyclopentyl)]-2-butenoate (E)-2-(cyanomethyl)-4-[2-(2-methoxy-2-oxoethyl)-1,3-dioxolan-2-yl]-3-(N-(phenylmethyl)anilino)-2-butenoic acid ethyl ester Ethyl (E)-3-(N-benzylanilino)-2-(cyanomethyl)-4-[2-(2-methoxy-2-oxoethyl)-1,3-dioxolan-2-yl]but-2-enoate Ethyl (E)-3-(N-benzylanilino)-2-(cyanomethyl)-4-[2-(2-methoxy-2-oxo-ethyl)-1,3-dioxolan-2-yl]but-2-enoate Ethyl (E)-2-(cyanomethyl)-4-[2-(2-methoxy-2-oxidanylidene-ethyl)-1,3-dioxolan-2-yl]-3-[phenyl-(phenylmethyl)amino]but-2-enoate
Wiley ID 867880