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Hexanoic acid, 4-isopropylphenyl ester

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Hexanoic acid, 4-isopropylphenyl ester
SpectraBase Compound ID BvfaqkR3lwA
InChI InChI=1S/C15H22O2/c1-4-5-6-7-15(16)17-14-10-8-13(9-11-14)12(2)3/h8-12H,4-7H2,1-3H3
InChIKey KORNFABZZDNFHU-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 A9m2zJ70asq
Name Hexanoic acid, 4-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/c1-4-5-6-7-15(16)17-14-10-8-13(9-11-14)12(2)3/h8-12H,4-7H2,1-3H3
InChIKey KORNFABZZDNFHU-UHFFFAOYSA-N
Molecular Weight 234.339 g/mol
SMILES C(CCCCC)(=O)OC1=CC=C(C(C)C)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.904104