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Benzoic acid, 4-hydroxy-, 3-bromopropyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Benzoic acid, 4-hydroxy-, 3-bromopropyl ester
SpectraBase Compound ID Aw4ctAGjAxD
InChI InChI=1S/C10H11BrO3/c11-6-1-7-14-10(13)8-2-4-9(12)5-3-8/h2-5,12H,1,6-7H2
InChIKey IOHPKRIYFUZRJA-UHFFFAOYSA-N
Mol Weight 259.1 g/mol
Molecular Formula C10H11BrO3
Exact Mass 257.989157 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1S4atyB9bKv
Name Benzoic acid, 4-hydroxy-, 3-bromopropyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 257.989157211 u
Formula C10H11BrO3
InChI InChI=1S/C10H11BrO3/c11-6-1-7-14-10(13)8-2-4-9(12)5-3-8/h2-5,12H,1,6-7H2
InChIKey IOHPKRIYFUZRJA-UHFFFAOYSA-N
Molecular Weight 259.099 g/mol
SMILES C1(O)=CC=C(C=C1)C(=O)OCCCBr
Spectrum/Structure Validation Score (Vapor Phase IR) 0.871975