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2-(1,3-Benzodioxol-5-yl)-2-bromo-acetic acid ethyl ester

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

2-(1,3-Benzodioxol-5-yl)-2-bromo-acetic acid ethyl ester
SpectraBase Compound ID AdXd9xNRrl1
InChI InChI=1S/C11H11BrO4/c1-2-14-11(13)10(12)7-3-4-8-9(5-7)16-6-15-8/h3-5,10H,2,6H2,1H3
InChIKey MUCOPJVDRLCJLD-UHFFFAOYSA-N
Mol Weight 287.11 g/mol
Molecular Formula C11H11BrO4
Exact Mass 285.984072 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CqRcvh21ANf
Name 2-(1,3-Benzodioxol-5-yl)-2-bromo-acetic acid ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 285.984071830 u
Formula C11H11BrO4
InChI InChI=1S/C11H11BrO4/c1-2-14-11(13)10(12)7-3-4-8-9(5-7)16-6-15-8/h3-5,10H,2,6H2,1H3
InChIKey MUCOPJVDRLCJLD-UHFFFAOYSA-N
Molecular Weight 287.109 g/mol
SMILES C(C(Br)C=1C=C2OCOC2=CC1)(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.929704