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Benzenepropanoic acid, 5-bromo-2-(difluoromethoxy)-, ethyl ester

View entire compound with spectra: 1 FTIR

Benzenepropanoic acid, 5-bromo-2-(difluoromethoxy)-, ethyl ester
SpectraBase Compound ID CD4Awx2da4Z
InChI InChI=1S/C12H13BrF2O3/c1-2-17-11(16)6-3-8-7-9(13)4-5-10(8)18-12(14)15/h4-5,7,12H,2-3,6H2,1H3
InChIKey RVRFEZCHTGNTFJ-UHFFFAOYSA-N
Mol Weight 323.13 g/mol
Molecular Formula C12H13BrF2O3
Exact Mass 322.001614 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C4MNYzVygr2
Name Benzenepropanoic acid, 5-bromo-2-(difluoromethoxy)-, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.001613602 u
Formula C12H13BrF2O3
InChI InChI=1S/C12H13BrF2O3/c1-2-17-11(16)6-3-8-7-9(13)4-5-10(8)18-12(14)15/h4-5,7,12H,2-3,6H2,1H3
InChIKey RVRFEZCHTGNTFJ-UHFFFAOYSA-N
Molecular Weight 323.134 g/mol
SMILES C(F)(F)OC1=C(C=C(C=C1)Br)CCC(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.921139