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Methyl 2-{[2-(acetylamino)-3-phenylpropanoyl]amino}-3-phenylpropanoate

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Methyl 2-{[2-(acetylamino)-3-phenylpropanoyl]amino}-3-phenylpropanoate
SpectraBase Compound ID CZXWBVlbvTI
InChI InChI=1S/C21H24N2O4/c1-15(24)22-18(13-16-9-5-3-6-10-16)20(25)23-19(21(26)27-2)14-17-11-7-4-8-12-17/h3-12,18-19H,13-14H2,1-2H3,(H,22,24)(H,23,25)
InChIKey NNGDPBGHQANKAC-UHFFFAOYSA-N
Mol Weight 368.43 g/mol
Molecular Formula C21H24N2O4
Exact Mass 368.173607 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C6VrbXpXZAQ
Name Methyl 2-{[2-(acetylamino)-3-phenylpropanoyl]amino}-3-phenylpropanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 368.173607257 u
Formula C21H24N2O4
InChI InChI=1S/C21H24N2O4/c1-15(24)22-18(13-16-9-5-3-6-10-16)20(25)23-19(21(26)27-2)14-17-11-7-4-8-12-17/h3-12,18-19H,13-14H2,1-2H3,(H,22,24)(H,23,25)
InChIKey NNGDPBGHQANKAC-UHFFFAOYSA-N
Molecular Weight 368.433 g/mol
SMILES N(C(C(=O)NC(Cc1ccccc1)C(=O)OC)Cc1ccccc1)C(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.889665