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4-Bromo-1-hydroxy-2-naphthoic acid, phenyl ester

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

4-Bromo-1-hydroxy-2-naphthoic acid, phenyl ester
SpectraBase Compound ID 1M565vN3We
InChI InChI=1S/C17H11BrO3/c18-15-10-14(16(19)13-9-5-4-8-12(13)15)17(20)21-11-6-2-1-3-7-11/h1-10,19H
InChIKey OIOVTLYQTZPXTO-UHFFFAOYSA-N
Mol Weight 343.18 g/mol
Molecular Formula C17H11BrO3
Exact Mass 341.989157 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID Ae506upxonO
Name 4-Bromo-1-hydroxy-2-naphthoic acid, phenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 341.989157211 u
Formula C17H11BrO3
InChI InChI=1S/C17H11BrO3/c18-15-10-14(16(19)13-9-5-4-8-12(13)15)17(20)21-11-6-2-1-3-7-11/h1-10,19H
InChIKey OIOVTLYQTZPXTO-UHFFFAOYSA-N
Molecular Weight 343.176 g/mol
SMILES OC1=C(C=C(C=2C=CC=CC12)Br)C(OC=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Raman) 0.926964