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Butyric acid, 4-phenyl-, isobutyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Butyric acid, 4-phenyl-, isobutyl ester
SpectraBase Compound ID 6BVhRL6VJrP
InChI InChI=1S/C14H20O2/c1-12(2)11-16-14(15)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3
InChIKey YIDIILBHCSEKJF-UHFFFAOYSA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9iYFBOk4xZI
Name Butyric acid, 4-phenyl-, isobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.146329882 u
Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-12(2)11-16-14(15)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3
InChIKey YIDIILBHCSEKJF-UHFFFAOYSA-N
Molecular Weight 220.312 g/mol
SMILES C(CCCC=1C=CC=CC1)(OCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.988654