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

View entire compound with spectra: 1 NMR

D-Alanine, N-(4-anisoyl)-, tetradecyl ester
SpectraBase Compound ID AU6TlB6rbvC
InChI InChI=1S/C25H41NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-30-25(28)21(2)26-24(27)22-16-18-23(29-3)19-17-22/h16-19,21H,4-15,20H2,1-3H3,(H,26,27)
InChIKey JSWAUQPSTAWYSX-UHFFFAOYSA-N
Mol Weight 419.6 g/mol
Molecular Formula C25H41NO4
Exact Mass 419.303559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ERBFdE1LfqH
Name D-Alanine, N-(4-anisoyl)-, tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 419.303558800 u
Formula C25H41NO4
InChI InChI=1S/C25H41NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-30-25(28)21(2)26-24(27)22-16-18-23(29-3)19-17-22/h16-19,21H,4-15,20H2,1-3H3,(H,26,27)
InChIKey JSWAUQPSTAWYSX-UHFFFAOYSA-N
Molecular Weight 419.606 g/mol
SMILES C(NC(=O)C=1C=CC(OC)=CC1)(C(OCCCCCCCCCCCCCC)=O)C