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 |