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

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L-Leucine, N-(2-chlorobenzoyl)-, heptadecyl ester
SpectraBase Compound ID 9EjvSoTB9j0
InChI InChI=1S/C30H50ClNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-35-30(34)28(24-25(2)3)32-29(33)26-21-18-19-22-27(26)31/h18-19,21-22,25,28H,4-17,20,23-24H2,1-3H3,(H,32,33)
InChIKey QLZGLYFSLUXPDN-UHFFFAOYSA-N
Mol Weight 508.2 g/mol
Molecular Formula C30H50ClNO3
Exact Mass 507.347922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4z7hSAXTRwm
Name L-Leucine, N-(2-chlorobenzoyl)-, heptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 507.347922171 u
Formula C30H50ClNO3
InChI InChI=1S/C30H50ClNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-35-30(34)28(24-25(2)3)32-29(33)26-21-18-19-22-27(26)31/h18-19,21-22,25,28H,4-17,20,23-24H2,1-3H3,(H,32,33)
InChIKey QLZGLYFSLUXPDN-UHFFFAOYSA-N
Molecular Weight 508.187 g/mol
SMILES C1=CC=CC(=C1C(NC(C(OCCCCCCCCCCCCCCCCC)=O)CC(C)C)=O)Cl