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

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

Benzoic acid, 4-tert-butyl-, octyl ester
SpectraBase Compound ID ALuYUYnsA5p
InChI InChI=1S/C19H30O2/c1-5-6-7-8-9-10-15-21-18(20)16-11-13-17(14-12-16)19(2,3)4/h11-14H,5-10,15H2,1-4H3
InChIKey LYHCEGUOXQINQJ-UHFFFAOYSA-N
Mol Weight 290.45 g/mol
Molecular Formula C19H30O2
Exact Mass 290.22458 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JcdebLDElZa
Name Benzoic acid, 4-tert-butyl-, octyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 290.224580204 u
Formula C19H30O2
InChI InChI=1S/C19H30O2/c1-5-6-7-8-9-10-15-21-18(20)16-11-13-17(14-12-16)19(2,3)4/h11-14H,5-10,15H2,1-4H3
InChIKey LYHCEGUOXQINQJ-UHFFFAOYSA-N
SMILES C(=O)(OCCCCCCCC)C=1C=CC(=CC1)C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954581