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

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phe-phe, N-(N-Propyloxycarbonyl)-, N-propyl ester
SpectraBase Compound ID 9Q4ZzZQkTzL
InChI InChI=1S/C25H32N2O5/c1-3-15-31-24(29)22(18-20-13-9-6-10-14-20)26-23(28)21(27-25(30)32-16-4-2)17-19-11-7-5-8-12-19/h5-14,21-22H,3-4,15-18H2,1-2H3,(H,26,28)(H,27,30)
InChIKey DSQFMKYJBKMKQM-UHFFFAOYSA-N
Mol Weight 440.5 g/mol
Molecular Formula C25H32N2O5
Exact Mass 440.231122 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9zglEL5VXYB
Name phe-phe, N-(N-Propyloxycarbonyl)-, N-propyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.231122133 u
Formula C25H32N2O5
InChI InChI=1S/C25H32N2O5/c1-3-15-31-24(29)22(18-20-13-9-6-10-14-20)26-23(28)21(27-25(30)32-16-4-2)17-19-11-7-5-8-12-19/h5-14,21-22H,3-4,15-18H2,1-2H3,(H,26,28)(H,27,30)
InChIKey DSQFMKYJBKMKQM-UHFFFAOYSA-N
Molecular Weight 440.540 g/mol
SMILES C1(=CC=CC=C1)CC(C(NC(CC1=CC=CC=C1)C(=O)OCCC)=O)NC(OCCC)=O