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L-Homophenylalanine, N,N-bis(N-pentyl)-, pentyl ester

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L-Homophenylalanine, N,N-bis(N-pentyl)-, pentyl ester
SpectraBase Compound ID 1p71FDsdP7p
InChI InChI=1S/C25H43NO2/c1-4-7-13-20-26(21-14-8-5-2)24(25(27)28-22-15-9-6-3)19-18-23-16-11-10-12-17-23/h10-12,16-17,24H,4-9,13-15,18-22H2,1-3H3
InChIKey BUAUGILHRKYDFN-UHFFFAOYSA-N
Mol Weight 389.6 g/mol
Molecular Formula C25H43NO2
Exact Mass 389.32938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6fMNQ0GToBh
Name L-Homophenylalanine, N,N-bis(N-pentyl)-, pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 389.329379627 u
Formula C25H43NO2
InChI InChI=1S/C25H43NO2/c1-4-7-13-20-26(21-14-8-5-2)24(25(27)28-22-15-9-6-3)19-18-23-16-11-10-12-17-23/h10-12,16-17,24H,4-9,13-15,18-22H2,1-3H3
InChIKey BUAUGILHRKYDFN-UHFFFAOYSA-N
Molecular Weight 389.624 g/mol
SMILES C1=CC=CC(=C1)CCC(N(CCCCC)CCCCC)C(=O)OCCCCC