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4-Butylbenzoic acid, cyclobutyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

4-Butylbenzoic acid, cyclobutyl ester
SpectraBase Compound ID Jd654ou6xVd
InChI InChI=1S/C15H20O2/c1-2-3-5-12-8-10-13(11-9-12)15(16)17-14-6-4-7-14/h8-11,14H,2-7H2,1H3
InChIKey ZTHKVMBWGQYZRK-UHFFFAOYSA-N
Mol Weight 232.32 g/mol
Molecular Formula C15H20O2
Exact Mass 232.14633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KS8e7zeGse0
Name 4-Butylbenzoic acid, cyclobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.146329882 u
Formula C15H20O2
InChI InChI=1S/C15H20O2/c1-2-3-5-12-8-10-13(11-9-12)15(16)17-14-6-4-7-14/h8-11,14H,2-7H2,1H3
InChIKey ZTHKVMBWGQYZRK-UHFFFAOYSA-N
Molecular Weight 232.323 g/mol
SMILES C(OC1CCC1)(=O)C1=CC=C(CCCC)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.946565