| SpectraBase Spectrum ID |
wzTtaFNvW0 |
| Name |
Hexanoic acid, 3,5,5-trimethyl-, 2-ethylhexyl 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/c1-7-9-10-15(8-2)13-19-16(18)11-14(3)12-17(4,5)6/h14-15H,7-13H2,1-6H3 |
| InChIKey |
LCVHZNSIAYNAGX-UHFFFAOYSA-N |
| Molecular Weight |
270.457 g/mol |
| SMILES |
C(CC(OCC(CCCC)CC)=O)(CC(C)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975433 |
