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Ethyl 2-(cyanomethyl)-3-(.alpha.-anilinobenzyl)-5-(benzyloxy)-2-pentenoate
SpectraBase Compound ID FwyaOX8zDEl
InChI InChI=1S/C29H30N2O3/c1-2-34-29(32)27(18-20-30)28(19-21-33-23-25-14-8-4-9-15-25)31(26-16-10-5-11-17-26)22-24-12-6-3-7-13-24/h3-17H,2,18-19,21-23H2,1H3/b28-27-
InChIKey ZRJMJWBSJDAEFI-DQSJHHFOSA-N
Mol Weight 454.57 g/mol
Molecular Formula C29H30N2O3
Exact Mass 454.225643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iw4acPUpUX
Name Ethyl 2-(cyanomethyl)-3-(.alpha.-anilinobenzyl)-5-(benzyloxy)-2-pentenoate
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Formula C29H30N2O3
InChI InChI=1S/C29H30N2O3/c1-2-34-29(32)27(18-20-30)28(19-21-33-23-25-14-8-4-9-15-25)31(26-16-10-5-11-17-26)22-24-12-6-3-7-13-24/h3-17H,2,18-19,21-23H2,1H3/b28-27-
InChIKey ZRJMJWBSJDAEFI-DQSJHHFOSA-N
Molecular Weight 454.570 g/mol
SMILES C(N(\C(=C/(C(=O)OCC)CC#N)CCOCc1ccccc1)c1ccccc1)c1ccccc1
SPLASH splash10-0006-9213200000-e8db47370bbd1c052691
Source of Spectrum SK-27-1841-6
Synonyms Ethyl (2Z)-3-(benzylanilino)-5-(benzyloxy)-2-(cyanomethyl)-2-pentenoate
Wiley ID 867883