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

View entire compound with spectra: 1 NMR

L-Leucine, N-(2-bromobenzoyl)-, pentadecyl ester
SpectraBase Compound ID BJmZ3xPzLRC
InChI InChI=1S/C28H46BrNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-33-28(32)26(22-23(2)3)30-27(31)24-19-16-17-20-25(24)29/h16-17,19-20,23,26H,4-15,18,21-22H2,1-3H3,(H,30,31)
InChIKey QCNLDUPDRPWJDK-UHFFFAOYSA-N
Mol Weight 524.6 g/mol
Molecular Formula C28H46BrNO3
Exact Mass 523.266107 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HE7gevXxW7z
Name L-Leucine, N-(2-bromobenzoyl)-, pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 523.266107342 u
Formula C28H46BrNO3
InChI InChI=1S/C28H46BrNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-33-28(32)26(22-23(2)3)30-27(31)24-19-16-17-20-25(24)29/h16-17,19-20,23,26H,4-15,18,21-22H2,1-3H3,(H,30,31)
InChIKey QCNLDUPDRPWJDK-UHFFFAOYSA-N
Molecular Weight 524.584 g/mol
SMILES C1=CC=CC(=C1C(NC(C(OCCCCCCCCCCCCCCC)=O)CC(C)C)=O)Br