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

*Links on SpectraBase are not permalinks.

D-Alanine, N-(4-anisoyl)-, heptadecyl ester

View entire compound with spectra: 1 NMR

D-Alanine, N-(4-anisoyl)-, heptadecyl ester
SpectraBase Compound ID 8tIGmLpq0Mg
InChI InChI=1S/C28H47NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-33-28(31)24(2)29-27(30)25-19-21-26(32-3)22-20-25/h19-22,24H,4-18,23H2,1-3H3,(H,29,30)
InChIKey LPPHJEXVRAJZKH-UHFFFAOYSA-N
Mol Weight 461.7 g/mol
Molecular Formula C28H47NO4
Exact Mass 461.350509 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 Fdg6pfCWbZE
Name D-Alanine, N-(4-anisoyl)-, heptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 461.350508993 u
Formula C28H47NO4
InChI InChI=1S/C28H47NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-33-28(31)24(2)29-27(30)25-19-21-26(32-3)22-20-25/h19-22,24H,4-18,23H2,1-3H3,(H,29,30)
InChIKey LPPHJEXVRAJZKH-UHFFFAOYSA-N
Molecular Weight 461.687 g/mol
SMILES C(NC(=O)C=1C=CC(OC)=CC1)(C(OCCCCCCCCCCCCCCCCC)=O)C