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Carbonic acid, isobutyl 3-fluorophenyl ester

View entire compound with spectra: 1 FTIR

Carbonic acid, isobutyl 3-fluorophenyl ester
SpectraBase Compound ID 7TNbWwk4dbe
InChI InChI=1S/C11H13FO3/c1-8(2)7-14-11(13)15-10-5-3-4-9(12)6-10/h3-6,8H,7H2,1-2H3
InChIKey JIEYTJQCVNWMOI-UHFFFAOYSA-N
Mol Weight 212.22 g/mol
Molecular Formula C11H13FO3
Exact Mass 212.084872 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KUsvB3lKqjr
Name Carbonic acid, isobutyl 3-fluorophenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 212.084872439 u
Formula C11H13FO3
InChI InChI=1S/C11H13FO3/c1-8(2)7-14-11(13)15-10-5-3-4-9(12)6-10/h3-6,8H,7H2,1-2H3
InChIKey JIEYTJQCVNWMOI-UHFFFAOYSA-N
Molecular Weight 212.220 g/mol
SMILES C1=CC=C(C=C1F)OC(OCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.935758