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D-Alanine, N-(2-chlorobenzoyl)-, hexadecyl ester

View entire compound with spectra: 1 NMR

D-Alanine, N-(2-chlorobenzoyl)-, hexadecyl ester
SpectraBase Compound ID 190qqr0l9AV
InChI InChI=1S/C26H42ClNO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-31-26(30)22(2)28-25(29)23-19-16-17-20-24(23)27/h16-17,19-20,22H,3-15,18,21H2,1-2H3,(H,28,29)
InChIKey DKUDKKJVWDJVAY-UHFFFAOYSA-N
Mol Weight 452.1 g/mol
Molecular Formula C26H42ClNO3
Exact Mass 451.285322 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2MNVX3n4z8m
Name D-Alanine, N-(2-chlorobenzoyl)-, hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 451.285321913 u
Formula C26H42ClNO3
InChI InChI=1S/C26H42ClNO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-31-26(30)22(2)28-25(29)23-19-16-17-20-24(23)27/h16-17,19-20,22H,3-15,18,21H2,1-2H3,(H,28,29)
InChIKey DKUDKKJVWDJVAY-UHFFFAOYSA-N
Molecular Weight 452.079 g/mol
SMILES C(NC(=O)C1=CC=CC=C1Cl)(C(OCCCCCCCCCCCCCCCC)=O)C