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m-Methoxybenzoic acid, 2-bromo-4-fluorophenyl ester

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m-Methoxybenzoic acid, 2-bromo-4-fluorophenyl ester
SpectraBase Compound ID J7bbZzv9lo6
InChI InChI=1S/C14H10BrFO3/c1-18-11-4-2-3-9(7-11)14(17)19-13-6-5-10(16)8-12(13)15/h2-8H,1H3
InChIKey DJTKDHRPVWRPQY-UHFFFAOYSA-N
Mol Weight 325.13 g/mol
Molecular Formula C14H10BrFO3
Exact Mass 323.979735 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3lA1FvFf9jc
Name m-Methoxybenzoic acid, 2-bromo-4-fluorophenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.979735342 u
Formula C14H10BrFO3
InChI InChI=1S/C14H10BrFO3/c1-18-11-4-2-3-9(7-11)14(17)19-13-6-5-10(16)8-12(13)15/h2-8H,1H3
InChIKey DJTKDHRPVWRPQY-UHFFFAOYSA-N
Molecular Weight 325.133 g/mol
SMILES C1(=CC=CC(=C1)OC)C(OC1=CC=C(C=C1Br)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948938