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Benzoic acid, 4-tert-butyl-, isobutyl ester

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

Benzoic acid, 4-tert-butyl-, isobutyl ester
SpectraBase Compound ID 8FpwCM340Yf
InChI InChI=1S/C15H22O2/c1-11(2)10-17-14(16)12-6-8-13(9-7-12)15(3,4)5/h6-9,11H,10H2,1-5H3
InChIKey GGLQTZOMYPPPAK-UHFFFAOYSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID QEijIxmxys
Name Benzoic acid, 4-tert-butyl-, isobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.161979946 u
Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-11(2)10-17-14(16)12-6-8-13(9-7-12)15(3,4)5/h6-9,11H,10H2,1-5H3
InChIKey GGLQTZOMYPPPAK-UHFFFAOYSA-N
Molecular Weight 234.339 g/mol
SMILES C(=O)(OCC(C)C)C=1C=CC(=CC1)C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.932369