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L-Alanine, N-(3-bromobenzoyl)-, tetradecyl ester

View entire compound with spectra: 1 NMR

L-Alanine, N-(3-bromobenzoyl)-, tetradecyl ester
SpectraBase Compound ID JxKhyZm76hX
InChI InChI=1S/C24H38BrNO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-29-24(28)20(2)26-23(27)21-16-15-17-22(25)19-21/h15-17,19-20H,3-14,18H2,1-2H3,(H,26,27)
InChIKey GEXIBCWEDNLWBW-UHFFFAOYSA-N
Mol Weight 468.5 g/mol
Molecular Formula C24H38BrNO3
Exact Mass 467.203507 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JQmFP0b7ePX
Name L-Alanine, N-(3-bromobenzoyl)-, tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 467.203507085 u
Formula C24H38BrNO3
InChI InChI=1S/C24H38BrNO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-29-24(28)20(2)26-23(27)21-16-15-17-22(25)19-21/h15-17,19-20H,3-14,18H2,1-2H3,(H,26,27)
InChIKey GEXIBCWEDNLWBW-UHFFFAOYSA-N
Molecular Weight 468.476 g/mol
SMILES C1=C(C=CC=C1C(NC(C(OCCCCCCCCCCCCCC)=O)C)=O)Br