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Succinic acid, 2-bromo-5-fluorobenzyl ethyl ester

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Succinic acid, 2-bromo-5-fluorobenzyl ethyl ester
SpectraBase Compound ID ARESZBK9Htu
InChI InChI=1S/C13H14BrFO4/c1-2-18-12(16)5-6-13(17)19-8-9-7-10(15)3-4-11(9)14/h3-4,7H,2,5-6,8H2,1H3
InChIKey RYFAWWCOMACXPO-UHFFFAOYSA-N
Mol Weight 333.15 g/mol
Molecular Formula C13H14BrFO4
Exact Mass 332.00595 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8hWiYX7NDsu
Name Succinic acid, 2-bromo-5-fluorobenzyl ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.005950090 u
Formula C13H14BrFO4
InChI InChI=1S/C13H14BrFO4/c1-2-18-12(16)5-6-13(17)19-8-9-7-10(15)3-4-11(9)14/h3-4,7H,2,5-6,8H2,1H3
InChIKey RYFAWWCOMACXPO-UHFFFAOYSA-N
Molecular Weight 333.153 g/mol
SMILES C(CCC(OCC=1C(Br)=CC=C(F)C1)=O)(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.920122