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Hexanoic acid, 3,5,5-trimethyl-, naphth-2-ylmethyl ester

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

Hexanoic acid, 3,5,5-trimethyl-, naphth-2-ylmethyl ester
SpectraBase Compound ID KdzKwE3ci6v
InChI InChI=1S/C20H26O2/c1-15(13-20(2,3)4)11-19(21)22-14-16-9-10-17-7-5-6-8-18(17)12-16/h5-10,12,15H,11,13-14H2,1-4H3
InChIKey DBBYBEREQVMNDW-UHFFFAOYSA-N
Mol Weight 298.43 g/mol
Molecular Formula C20H26O2
Exact Mass 298.19328 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Br3VLahTOQl
Name Hexanoic acid, 3,5,5-trimethyl-, naphth-2-ylmethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.193280075 u
Formula C20H26O2
InChI InChI=1S/C20H26O2/c1-15(13-20(2,3)4)11-19(21)22-14-16-9-10-17-7-5-6-8-18(17)12-16/h5-10,12,15H,11,13-14H2,1-4H3
InChIKey DBBYBEREQVMNDW-UHFFFAOYSA-N
SMILES C(CC(OCC1=CC2=C(C=CC=C2)C=C1)=O)(CC(C)(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.914309