For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

N-Benzoyl-3,5-dibromotyrosine

View entire compound with spectra: 1 NMR, and 1 FTIR

N-Benzoyl-3,5-dibromotyrosine
SpectraBase Compound ID 5nBx5LHf2vg
InChI InChI=1S/C17H15Br2NO4/c1-24-17(23)14(20-16(22)11-5-3-2-4-6-11)9-10-7-12(18)15(21)13(19)8-10/h2-8,14,21H,9H2,1H3,(H,20,22)
InChIKey OESIPAVCFZKASQ-UHFFFAOYSA-N
Mol Weight 457.12 g/mol
Molecular Formula C17H15Br2NO4
Exact Mass 454.936784 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1o6Y1VE5Xtm
Name N-Benzoyl-3,5-dibromotyrosine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 454.936783963 u
Formula C17H15Br2NO4
InChI InChI=1S/C17H15Br2NO4/c1-24-17(23)14(20-16(22)11-5-3-2-4-6-11)9-10-7-12(18)15(21)13(19)8-10/h2-8,14,21H,9H2,1H3,(H,20,22)
InChIKey OESIPAVCFZKASQ-UHFFFAOYSA-N
Molecular Weight 457.118 g/mol
SMILES C1=C(C=C(C(=C1Br)O)Br)CC(NC(C1=CC=CC=C1)=O)C(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.935624