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4-Ethylbenzoic acid, cyclobutyl ester

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

4-Ethylbenzoic acid, cyclobutyl ester
SpectraBase Compound ID I4Dx9zZSbXc
InChI InChI=1S/C13H16O2/c1-2-10-6-8-11(9-7-10)13(14)15-12-4-3-5-12/h6-9,12H,2-5H2,1H3
InChIKey LZFCLOXJWLIITN-UHFFFAOYSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DwQ0nC9AVWo
Name 4-Ethylbenzoic acid, cyclobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 204.115029753 u
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-2-10-6-8-11(9-7-10)13(14)15-12-4-3-5-12/h6-9,12H,2-5H2,1H3
InChIKey LZFCLOXJWLIITN-UHFFFAOYSA-N
Molecular Weight 204.269 g/mol
SMILES C(OC1CCC1)(=O)C1=CC=C(CC)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.943578