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L-Leucine, N-(2-chlorobenzoyl)-, hexadecyl ester

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L-Leucine, N-(2-chlorobenzoyl)-, hexadecyl ester
SpectraBase Compound ID JGv7Qw3GYiU
InChI InChI=1S/C29H48ClNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-34-29(33)27(23-24(2)3)31-28(32)25-20-17-18-21-26(25)30/h17-18,20-21,24,27H,4-16,19,22-23H2,1-3H3,(H,31,32)
InChIKey JQXHCTADGZANJK-UHFFFAOYSA-N
Mol Weight 494.2 g/mol
Molecular Formula C29H48ClNO3
Exact Mass 493.332272 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ZJ9WSs8zKa
Name L-Leucine, N-(2-chlorobenzoyl)-, hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 493.332272107 u
Formula C29H48ClNO3
InChI InChI=1S/C29H48ClNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-34-29(33)27(23-24(2)3)31-28(32)25-20-17-18-21-26(25)30/h17-18,20-21,24,27H,4-16,19,22-23H2,1-3H3,(H,31,32)
InChIKey JQXHCTADGZANJK-UHFFFAOYSA-N
Molecular Weight 494.160 g/mol
SMILES C1=CC=CC(=C1C(NC(C(OCCCCCCCCCCCCCCCC)=O)CC(C)C)=O)Cl