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L-Leucine, N-(2-bromobenzoyl)-, nonyl ester

View entire compound with spectra: 1 NMR

L-Leucine, N-(2-bromobenzoyl)-, nonyl ester
SpectraBase Compound ID 7gBWb4uK0an
InChI InChI=1S/C22H34BrNO3/c1-4-5-6-7-8-9-12-15-27-22(26)20(16-17(2)3)24-21(25)18-13-10-11-14-19(18)23/h10-11,13-14,17,20H,4-9,12,15-16H2,1-3H3,(H,24,25)
InChIKey QGIWPBVUOYVZED-UHFFFAOYSA-N
Mol Weight 440.4 g/mol
Molecular Formula C22H34BrNO3
Exact Mass 439.172207 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ceq73AUlyjb
Name L-Leucine, N-(2-bromobenzoyl)-, nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 439.172206956 u
Formula C22H34BrNO3
InChI InChI=1S/C22H34BrNO3/c1-4-5-6-7-8-9-12-15-27-22(26)20(16-17(2)3)24-21(25)18-13-10-11-14-19(18)23/h10-11,13-14,17,20H,4-9,12,15-16H2,1-3H3,(H,24,25)
InChIKey QGIWPBVUOYVZED-UHFFFAOYSA-N
Molecular Weight 440.422 g/mol
SMILES C1=CC=CC(=C1C(NC(C(OCCCCCCCCC)=O)CC(C)C)=O)Br