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L-Valine, N-(2-methoxybenzoyl)-, undecyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-(2-methoxybenzoyl)-, undecyl ester
SpectraBase Compound ID 2f348uSXBAL
InChI InChI=1S/C24H39NO4/c1-5-6-7-8-9-10-11-12-15-18-29-24(27)22(19(2)3)25-23(26)20-16-13-14-17-21(20)28-4/h13-14,16-17,19,22H,5-12,15,18H2,1-4H3,(H,25,26)
InChIKey TXYWWXUVVMJYAL-UHFFFAOYSA-N
Mol Weight 405.6 g/mol
Molecular Formula C24H39NO4
Exact Mass 405.287909 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JoE5NMch5fM
Name L-Valine, N-(2-methoxybenzoyl)-, undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 405.287908736 u
Formula C24H39NO4
InChI InChI=1S/C24H39NO4/c1-5-6-7-8-9-10-11-12-15-18-29-24(27)22(19(2)3)25-23(26)20-16-13-14-17-21(20)28-4/h13-14,16-17,19,22H,5-12,15,18H2,1-4H3,(H,25,26)
InChIKey TXYWWXUVVMJYAL-UHFFFAOYSA-N
Molecular Weight 405.579 g/mol
SMILES C1=CC(=C(C=C1)C(NC(C(C)C)C(=O)OCCCCCCCCCCC)=O)OC