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phe-phe, N-(N-Propyloxycarbonyl)-, methyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

phe-phe, N-(N-Propyloxycarbonyl)-, methyl ester
SpectraBase Compound ID IZk6MDaglCe
InChI InChI=1S/C23H28N2O5/c1-3-14-30-23(28)25-19(15-17-10-6-4-7-11-17)21(26)24-20(22(27)29-2)16-18-12-8-5-9-13-18/h4-13,19-20H,3,14-16H2,1-2H3,(H,24,26)(H,25,28)
InChIKey AYIRIGKJILFMAG-UHFFFAOYSA-N
Mol Weight 412.49 g/mol
Molecular Formula C23H28N2O5
Exact Mass 412.199822 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3clH9BMOfcY
Name phe-phe, N-(N-Propyloxycarbonyl)-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 412.199822005 u
Formula C23H28N2O5
InChI InChI=1S/C23H28N2O5/c1-3-14-30-23(28)25-19(15-17-10-6-4-7-11-17)21(26)24-20(22(27)29-2)16-18-12-8-5-9-13-18/h4-13,19-20H,3,14-16H2,1-2H3,(H,24,26)(H,25,28)
InChIKey AYIRIGKJILFMAG-UHFFFAOYSA-N
Molecular Weight 412.486 g/mol
SMILES C1(=CC=CC=C1)CC(C(NC(CC1=CC=CC=C1)C(=O)OC)=O)NC(OCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.825733