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Glutaric acid, 2,6-difluoro-4-bromobenzyl ethyl ester

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Glutaric acid, 2,6-difluoro-4-bromobenzyl ethyl ester
SpectraBase Compound ID LeAXs0i6qYT
InChI InChI=1S/C14H15BrF2O4/c1-2-20-13(18)4-3-5-14(19)21-8-10-11(16)6-9(15)7-12(10)17/h6-7H,2-5,8H2,1H3
InChIKey ADXMZGHFVFVKNJ-UHFFFAOYSA-N
Mol Weight 365.17 g/mol
Molecular Formula C14H15BrF2O4
Exact Mass 364.012178 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7mkpyhmdNoh
Name Glutaric acid, 2,6-difluoro-4-bromobenzyl ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.012178285 u
Formula C14H15BrF2O4
InChI InChI=1S/C14H15BrF2O4/c1-2-20-13(18)4-3-5-14(19)21-8-10-11(16)6-9(15)7-12(10)17/h6-7H,2-5,8H2,1H3
InChIKey ADXMZGHFVFVKNJ-UHFFFAOYSA-N
Molecular Weight 365.171 g/mol
SMILES C(OCC1=C(C=C(C=C1F)Br)F)(=O)CCCC(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.819991