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Octanoic acid, 4-isopropylphenyl ester

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

Octanoic acid, 4-isopropylphenyl ester
SpectraBase Compound ID GfAm6QHjCkC
InChI InChI=1S/C17H26O2/c1-4-5-6-7-8-9-17(18)19-16-12-10-15(11-13-16)14(2)3/h10-14H,4-9H2,1-3H3
InChIKey GSKAVBADIRRGEM-UHFFFAOYSA-N
Mol Weight 262.39 g/mol
Molecular Formula C17H26O2
Exact Mass 262.19328 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BFQcckO5gdO
Name Octanoic acid, 4-isopropylphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 262.193280075 u
Formula C17H26O2
InChI InChI=1S/C17H26O2/c1-4-5-6-7-8-9-17(18)19-16-12-10-15(11-13-16)14(2)3/h10-14H,4-9H2,1-3H3
InChIKey GSKAVBADIRRGEM-UHFFFAOYSA-N
Molecular Weight 262.393 g/mol
SMILES C(CCCCCCC)(=O)OC1=CC=C(C(C)C)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940825