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2-Ethylbutyric acid, 2-isopropylphenyl ester

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

2-Ethylbutyric acid, 2-isopropylphenyl ester
SpectraBase Compound ID 3B7qU2VFYme
InChI InChI=1S/C15H22O2/c1-5-12(6-2)15(16)17-14-10-8-7-9-13(14)11(3)4/h7-12H,5-6H2,1-4H3
InChIKey CQTLCBJYJHAEBR-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 EFtoGM1g5Sq
Name 2-Ethylbutyric acid, 2-isopropylphenyl 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/c1-5-12(6-2)15(16)17-14-10-8-7-9-13(14)11(3)4/h7-12H,5-6H2,1-4H3
InChIKey CQTLCBJYJHAEBR-UHFFFAOYSA-N
Molecular Weight 234.339 g/mol
SMILES CC(C)C1=CC=CC=C1OC(=O)C(CC)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.929802