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Hexanoic acid, 3,5,5-trimethyl-, octyl ester
SpectraBase Compound ID 1ZxZPXmnEQx
InChI InChI=1S/C17H34O2/c1-6-7-8-9-10-11-12-19-16(18)13-15(2)14-17(3,4)5/h15H,6-14H2,1-5H3
InChIKey AFKAUGCQTBKHFR-UHFFFAOYSA-N
Mol Weight 270.5 g/mol
Molecular Formula C17H34O2
Exact Mass 270.25588 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DUneIz8Nhrg
Name Hexanoic acid, 3,5,5-trimethyl-, octyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 270.255880333 u
Formula C17H34O2
InChI InChI=1S/C17H34O2/c1-6-7-8-9-10-11-12-19-16(18)13-15(2)14-17(3,4)5/h15H,6-14H2,1-5H3
InChIKey AFKAUGCQTBKHFR-UHFFFAOYSA-N
Molecular Weight 270.457 g/mol
SMILES C(CC(OCCCCCCCC)=O)(CC(C)(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962117