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N-(1-Cyano-2-phenylethyl)-3-phenyl-3-[4-[(isopropoxycarbonyl)-methyl]phenoxy]propanamide
SpectraBase Compound ID EShpv43F9li
InChI InChI=1S/C29H30N2O4/c1-21(2)34-29(33)18-23-13-15-26(16-14-23)35-27(24-11-7-4-8-12-24)19-28(32)31-25(20-30)17-22-9-5-3-6-10-22/h3-16,21,25,27H,17-19H2,1-2H3,(H,31,32)
InChIKey MYFQOOCCMUTWSU-UHFFFAOYSA-N
Mol Weight 470.57 g/mol
Molecular Formula C29H30N2O4
Exact Mass 470.220557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FiDFa8Fkwr6
Name N-(1-Cyano-2-phenylethyl)-3-phenyl-3-[4-[(isopropoxycarbonyl)-methyl]phenoxy]propanamide
Alternate Name(s) isopropyl (4-{3-[(1-cyano-2-phenylethyl)amino]-3-oxo-1-phenylpropoxy}phenyl)acetate
CAS Registry Number 127086-77-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H30N2O4
InChI InChI=1S/C29H30N2O4/c1-21(2)34-29(33)18-23-13-15-26(16-14-23)35-27(24-11-7-4-8-12-24)19-28(32)31-25(20-30)17-22-9-5-3-6-10-22/h3-16,21,25,27H,17-19H2,1-2H3,(H,31,32)
InChIKey MYFQOOCCMUTWSU-UHFFFAOYSA-N
Molecular Weight 470.569 g/mol
SMILES N(C(CC(Oc1ccc(CC(=O)OC(C)C)cc1)c1ccccc1)=O)C(C#N)Cc1ccccc1
SPLASH splash10-0a7i-0950000000-2d3e84424ce0ae816e89
Source of Spectrum C-112-7036-7
Wiley ID 1392917