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Succinic acid, 3-bromobenzyl ethyl ester

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Succinic acid, 3-bromobenzyl ethyl ester
SpectraBase Compound ID yYwiRzlyWj
InChI InChI=1S/C13H15BrO4/c1-2-17-12(15)6-7-13(16)18-9-10-4-3-5-11(14)8-10/h3-5,8H,2,6-7,9H2,1H3
InChIKey RIMFGYAJWSVPHU-UHFFFAOYSA-N
Mol Weight 315.16 g/mol
Molecular Formula C13H15BrO4
Exact Mass 314.015372 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 462aebQN5mR
Name Succinic acid, 3-bromobenzyl ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.015371959 u
Formula C13H15BrO4
InChI InChI=1S/C13H15BrO4/c1-2-17-12(15)6-7-13(16)18-9-10-4-3-5-11(14)8-10/h3-5,8H,2,6-7,9H2,1H3
InChIKey RIMFGYAJWSVPHU-UHFFFAOYSA-N
Molecular Weight 315.163 g/mol
SMILES C(OC(=O)CCC(OCC)=O)C1=CC(=CC=C1)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.891435