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Phenylalanine, dl, .alpha.-methyl-N,N-di(N-pentyl)-, N-pentyl ester

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Phenylalanine, dl, .alpha.-methyl-N,N-di(N-pentyl)-, N-pentyl ester
SpectraBase Compound ID 75D1cXLSrtq
InChI InChI=1S/C25H43NO2/c1-5-8-14-19-26(20-15-9-6-2)25(4,22-23-17-12-11-13-18-23)24(27)28-21-16-10-7-3/h11-13,17-18H,5-10,14-16,19-22H2,1-4H3
InChIKey BPUYXMQFAAUFOF-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 J8NO5jcngLQ
Name Phenylalanine, dl, .alpha.-methyl-N,N-di(N-pentyl)-, N-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/c1-5-8-14-19-26(20-15-9-6-2)25(4,22-23-17-12-11-13-18-23)24(27)28-21-16-10-7-3/h11-13,17-18H,5-10,14-16,19-22H2,1-4H3
InChIKey BPUYXMQFAAUFOF-UHFFFAOYSA-N
Molecular Weight 389.624 g/mol
SMILES C1(=CC=CC=C1)CC(C)(N(CCCCC)CCCCC)C(=O)OCCCCC