| SpectraBase Spectrum ID |
76BizrtPkez |
| Name |
Hexanoic acid, 3,5,5-trimethyl-, 8-chlorooctyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.216908001 u |
| Formula |
C17H33ClO2 |
| InChI |
InChI=1S/C17H33ClO2/c1-15(14-17(2,3)4)13-16(19)20-12-10-8-6-5-7-9-11-18/h15H,5-14H2,1-4H3 |
| InChIKey |
YHNYVZKZNOIRKW-UHFFFAOYSA-N |
| Molecular Weight |
304.902 g/mol |
| SMILES |
C(CC(OCCCCCCCCCl)=O)(CC(C)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980983 |
