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L-Alanine, N-(2-chlorobenzoyl)-, octadecyl ester

View entire compound with spectra: 1 NMR

L-Alanine, N-(2-chlorobenzoyl)-, octadecyl ester
SpectraBase Compound ID DjF2ryvMWwp
InChI InChI=1S/C28H46ClNO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-33-28(32)24(2)30-27(31)25-21-18-19-22-26(25)29/h18-19,21-22,24H,3-17,20,23H2,1-2H3,(H,30,31)
InChIKey GEXMJYGYKRVKTA-UHFFFAOYSA-N
Mol Weight 480.1 g/mol
Molecular Formula C28H46ClNO3
Exact Mass 479.316622 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DrIsgFzqP4u
Name L-Alanine, N-(2-chlorobenzoyl)-, octadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 479.316622042 u
Formula C28H46ClNO3
InChI InChI=1S/C28H46ClNO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-33-28(32)24(2)30-27(31)25-21-18-19-22-26(25)29/h18-19,21-22,24H,3-17,20,23H2,1-2H3,(H,30,31)
InChIKey GEXMJYGYKRVKTA-UHFFFAOYSA-N
Molecular Weight 480.133 g/mol
SMILES C1=CC=CC(=C1C(NC(C(OCCCCCCCCCCCCCCCCCC)=O)C)=O)Cl