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phe-phe, N-Methoxycarbonyl-, methyl ester

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

phe-phe, N-Methoxycarbonyl-, methyl ester
SpectraBase Compound ID 7gTOfzU9ijh
InChI InChI=1S/C21H24N2O5/c1-27-20(25)18(14-16-11-7-4-8-12-16)22-19(24)17(23-21(26)28-2)13-15-9-5-3-6-10-15/h3-12,17-18H,13-14H2,1-2H3,(H,22,24)(H,23,26)
InChIKey GSDURRJDMMIEGS-UHFFFAOYSA-N
Mol Weight 384.43 g/mol
Molecular Formula C21H24N2O5
Exact Mass 384.168522 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IRQQkmNeSXO
Name phe-phe, N-Methoxycarbonyl-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.168521876 u
Formula C21H24N2O5
InChI InChI=1S/C21H24N2O5/c1-27-20(25)18(14-16-11-7-4-8-12-16)22-19(24)17(23-21(26)28-2)13-15-9-5-3-6-10-15/h3-12,17-18H,13-14H2,1-2H3,(H,22,24)(H,23,26)
InChIKey GSDURRJDMMIEGS-UHFFFAOYSA-N
Molecular Weight 384.432 g/mol
SMILES C(C1=CC=CC=C1)C(NC(C(CC1=CC=CC=C1)NC(OC)=O)=O)C(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.96379