For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

L-Valine, N-(3-methylbenzoyl)-, pentadecyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-(3-methylbenzoyl)-, pentadecyl ester
SpectraBase Compound ID 7fmNQCkb13i
InChI InChI=1S/C28H47NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-32-28(31)26(23(2)3)29-27(30)25-20-18-19-24(4)22-25/h18-20,22-23,26H,5-17,21H2,1-4H3,(H,29,30)
InChIKey XBBZOEKHEPGWLQ-UHFFFAOYSA-N
Mol Weight 445.7 g/mol
Molecular Formula C28H47NO3
Exact Mass 445.355594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2vUlBpJLN8Z
Name L-Valine, N-(3-methylbenzoyl)-, pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 445.355594374 u
Formula C28H47NO3
InChI InChI=1S/C28H47NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-32-28(31)26(23(2)3)29-27(30)25-20-18-19-24(4)22-25/h18-20,22-23,26H,5-17,21H2,1-4H3,(H,29,30)
InChIKey XBBZOEKHEPGWLQ-UHFFFAOYSA-N
Molecular Weight 445.688 g/mol
SMILES CC1=CC=CC(=C1)C(NC(C(C)C)C(=O)OCCCCCCCCCCCCCCC)=O