Ethyl N-[1-(4-methoxyphenyl)-3-oxidanylidene-3-phenyl-2-(phenylcarbonyl)propyl]carbamate

SpectraBase Compound ID	6fpQBA5XfKa
InChI	InChI=1S/C26H25NO5/c1-3-32-26(30)27-23(18-14-16-21(31-2)17-15-18)22(24(28)19-10-6-4-7-11-19)25(29)20-12-8-5-9-13-20/h4-17,22-23H,3H2,1-2H3,(H,27,30)
InChIKey	WETKGAXXUYZMEI-UHFFFAOYSA-N Google Search
Mol Weight	431.49 g/mol
Molecular Formula	C26H25NO5
Exact Mass	431.173273 g/mol

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SpectraBase Spectrum ID	2yP0KD45nQC
Name	Ethyl N-[1-(4-methoxyphenyl)-3-oxidanylidene-3-phenyl-2-(phenylcarbonyl)propyl]carbamate
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	431.173272904 u
Formula	C26H25NO5
InChI	InChI=1S/C26H25NO5/c1-3-32-26(30)27-23(18-14-16-21(31-2)17-15-18)22(24(28)19-10-6-4-7-11-19)25(29)20-12-8-5-9-13-20/h4-17,22-23H,3H2,1-2H3,(H,27,30)
InChIKey	WETKGAXXUYZMEI-UHFFFAOYSA-N
Molecular Weight	431.488 g/mol
SMILES	C(C(NC(=O)OCC)C=1C=CC(=CC1)OC)(C(=O)C=1C=CC=CC1)C(=O)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.898048