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

View entire compound with spectra: 1 NMR

L-Leucine, N-(2-bromobenzoyl)-, octyl ester
SpectraBase Compound ID AnpqmPilHAI
InChI InChI=1S/C21H32BrNO3/c1-4-5-6-7-8-11-14-26-21(25)19(15-16(2)3)23-20(24)17-12-9-10-13-18(17)22/h9-10,12-13,16,19H,4-8,11,14-15H2,1-3H3,(H,23,24)
InChIKey AICOATAWMONXSA-UHFFFAOYSA-N
Mol Weight 426.4 g/mol
Molecular Formula C21H32BrNO3
Exact Mass 425.156557 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6UBVWEikP8z
Name L-Leucine, N-(2-bromobenzoyl)-, octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 425.156556891 u
Formula C21H32BrNO3
InChI InChI=1S/C21H32BrNO3/c1-4-5-6-7-8-11-14-26-21(25)19(15-16(2)3)23-20(24)17-12-9-10-13-18(17)22/h9-10,12-13,16,19H,4-8,11,14-15H2,1-3H3,(H,23,24)
InChIKey AICOATAWMONXSA-UHFFFAOYSA-N
Molecular Weight 426.395 g/mol
SMILES C1=CC=CC(=C1C(NC(C(OCCCCCCCC)=O)CC(C)C)=O)Br