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L-Alanine, N-(2-bromobenzoyl)-, decyl ester

View entire compound with spectra: 1 NMR

L-Alanine, N-(2-bromobenzoyl)-, decyl ester
SpectraBase Compound ID Iq4pxbVtrUm
InChI InChI=1S/C20H30BrNO3/c1-3-4-5-6-7-8-9-12-15-25-20(24)16(2)22-19(23)17-13-10-11-14-18(17)21/h10-11,13-14,16H,3-9,12,15H2,1-2H3,(H,22,23)
InChIKey CZECJZRRVLSQSO-UHFFFAOYSA-N
Mol Weight 412.37 g/mol
Molecular Formula C20H30BrNO3
Exact Mass 411.140907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ls1kULdqqp
Name L-Alanine, N-(2-bromobenzoyl)-, decyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 411.140906827 u
Formula C20H30BrNO3
InChI InChI=1S/C20H30BrNO3/c1-3-4-5-6-7-8-9-12-15-25-20(24)16(2)22-19(23)17-13-10-11-14-18(17)21/h10-11,13-14,16H,3-9,12,15H2,1-2H3,(H,22,23)
InChIKey CZECJZRRVLSQSO-UHFFFAOYSA-N
Molecular Weight 412.368 g/mol
SMILES C1=CC=CC(=C1C(NC(C(OCCCCCCCCCC)=O)C)=O)Br