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

View entire compound with spectra: 1 NMR

L-Alanine, N-(2-chlorobenzoyl)-, dodecyl ester
SpectraBase Compound ID HOUaOxTN7JR
InChI InChI=1S/C22H34ClNO3/c1-3-4-5-6-7-8-9-10-11-14-17-27-22(26)18(2)24-21(25)19-15-12-13-16-20(19)23/h12-13,15-16,18H,3-11,14,17H2,1-2H3,(H,24,25)
InChIKey WTLUIOCGSBSWMM-UHFFFAOYSA-N
Mol Weight 396.0 g/mol
Molecular Formula C22H34ClNO3
Exact Mass 395.222722 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jfw2ma1epsq
Name L-Alanine, N-(2-chlorobenzoyl)-, dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 395.222721656 u
Formula C22H34ClNO3
InChI InChI=1S/C22H34ClNO3/c1-3-4-5-6-7-8-9-10-11-14-17-27-22(26)18(2)24-21(25)19-15-12-13-16-20(19)23/h12-13,15-16,18H,3-11,14,17H2,1-2H3,(H,24,25)
InChIKey WTLUIOCGSBSWMM-UHFFFAOYSA-N
Molecular Weight 395.971 g/mol
SMILES C1=CC=CC(=C1C(NC(C(OCCCCCCCCCCCC)=O)C)=O)Cl