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

View entire compound with spectra: 1 NMR

D-Alanine, N-(4-anisoyl)-, hexadecyl ester
SpectraBase Compound ID G8DF4zxEDjK
InChI InChI=1S/C27H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-32-27(30)23(2)28-26(29)24-18-20-25(31-3)21-19-24/h18-21,23H,4-17,22H2,1-3H3,(H,28,29)
InChIKey UIYHJVULRVFZSW-UHFFFAOYSA-N
Mol Weight 447.7 g/mol
Molecular Formula C27H45NO4
Exact Mass 447.334859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BH6Vr1RAr2G
Name D-Alanine, N-(4-anisoyl)-, hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 447.334858929 u
Formula C27H45NO4
InChI InChI=1S/C27H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-32-27(30)23(2)28-26(29)24-18-20-25(31-3)21-19-24/h18-21,23H,4-17,22H2,1-3H3,(H,28,29)
InChIKey UIYHJVULRVFZSW-UHFFFAOYSA-N
Molecular Weight 447.660 g/mol
SMILES C(NC(=O)C=1C=CC(OC)=CC1)(C(OCCCCCCCCCCCCCCCC)=O)C