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

View entire compound with spectra: 1 NMR

L-Leucine, N-(2-chlorobenzoyl)-, heptyl ester
SpectraBase Compound ID HJFuOLmtLOi
InChI InChI=1S/C20H30ClNO3/c1-4-5-6-7-10-13-25-20(24)18(14-15(2)3)22-19(23)16-11-8-9-12-17(16)21/h8-9,11-12,15,18H,4-7,10,13-14H2,1-3H3,(H,22,23)
InChIKey MLLGSCLGHHDGTC-UHFFFAOYSA-N
Mol Weight 367.92 g/mol
Molecular Formula C20H30ClNO3
Exact Mass 367.191422 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1VccrGLnSIN
Name L-Leucine, N-(2-chlorobenzoyl)-, heptyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 367.191421527 u
Formula C20H30ClNO3
InChI InChI=1S/C20H30ClNO3/c1-4-5-6-7-10-13-25-20(24)18(14-15(2)3)22-19(23)16-11-8-9-12-17(16)21/h8-9,11-12,15,18H,4-7,10,13-14H2,1-3H3,(H,22,23)
InChIKey MLLGSCLGHHDGTC-UHFFFAOYSA-N
Molecular Weight 367.917 g/mol
SMILES C1=CC=CC(=C1C(NC(C(OCCCCCCC)=O)CC(C)C)=O)Cl