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Ethyl 6-(1-Benzyl-3-phenylureido)-1-cyano-3-formylhexane-3-carboxylate
SpectraBase Compound ID 6CJ2RbTbw8I
InChI InChI=1S/C25H29N3O4/c1-2-32-23(30)25(20-29,15-9-17-26)16-10-18-28(19-21-11-5-3-6-12-21)24(31)27-22-13-7-4-8-14-22/h3-8,11-14,20H,2,9-10,15-16,18-19H2,1H3,(H,27,31)
InChIKey SUUAVQOZVILZGO-UHFFFAOYSA-N
Mol Weight 435.52 g/mol
Molecular Formula C25H29N3O4
Exact Mass 435.215806 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HC34sNrKab3
Name Ethyl 6-(1-Benzyl-3-phenylureido)-1-cyano-3-formylhexane-3-carboxylate
Alternate Name(s) Ethyl 5-[(anilinocarbonyl)(benzyl)amino]-2-(2-cyanoethyl)-2-formylpentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H29N3O4
InChI InChI=1S/C25H29N3O4/c1-2-32-23(30)25(20-29,15-9-17-26)16-10-18-28(19-21-11-5-3-6-12-21)24(31)27-22-13-7-4-8-14-22/h3-8,11-14,20H,2,9-10,15-16,18-19H2,1H3,(H,27,31)
InChIKey SUUAVQOZVILZGO-UHFFFAOYSA-N
Molecular Weight 435.524 g/mol
SMILES N(C(N(Cc1ccccc1)CCCC(C(=O)OCC)(C=O)CCC#N)=O)c1ccccc1
SPLASH splash10-02tc-2910000000-77ef6ecdeaa93db688ba
Source of Spectrum KC-1992-2037-18
Wiley ID 776713