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Succinic acid, 3-bromobenzyl butyl ester

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

Succinic acid, 3-bromobenzyl butyl ester
SpectraBase Compound ID K6YODSESQHh
InChI InChI=1S/C15H19BrO4/c1-2-3-9-19-14(17)7-8-15(18)20-11-12-5-4-6-13(16)10-12/h4-6,10H,2-3,7-9,11H2,1H3
InChIKey YRZYNOQGUMACLN-UHFFFAOYSA-N
Mol Weight 343.22 g/mol
Molecular Formula C15H19BrO4
Exact Mass 342.046672 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8boYcFDC1ot
Name Succinic acid, 3-bromobenzyl butyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.046672088 u
Formula C15H19BrO4
InChI InChI=1S/C15H19BrO4/c1-2-3-9-19-14(17)7-8-15(18)20-11-12-5-4-6-13(16)10-12/h4-6,10H,2-3,7-9,11H2,1H3
InChIKey YRZYNOQGUMACLN-UHFFFAOYSA-N
Molecular Weight 343.217 g/mol
SMILES C(OC(=O)CCC(OCCCC)=O)C1=CC(=CC=C1)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.828789