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Benzoic acid, 4-(bromomethyl)-, 2-bromoethyl ester

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

Benzoic acid, 4-(bromomethyl)-, 2-bromoethyl ester
SpectraBase Compound ID 1Ha5XWULRWl
InChI InChI=1S/C10H10Br2O2/c11-5-6-14-10(13)9-3-1-8(7-12)2-4-9/h1-4H,5-7H2
InChIKey GJKPFQDIBYZMFG-UHFFFAOYSA-N
Mol Weight 322.0 g/mol
Molecular Formula C10H10Br2O2
Exact Mass 319.904756 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KiZC8TBDURc
Name Benzoic acid, 4-(bromomethyl)-, 2-bromoethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 319.904755560 u
Formula C10H10Br2O2
InChI InChI=1S/C10H10Br2O2/c11-5-6-14-10(13)9-3-1-8(7-12)2-4-9/h1-4H,5-7H2
InChIKey GJKPFQDIBYZMFG-UHFFFAOYSA-N
Molecular Weight 321.996 g/mol
SMILES C(Br)COC(=O)C1=CC=C(C=C1)CBr
Spectrum/Structure Validation Score (Vapor Phase IR) 0.87858