| SpectraBase Spectrum ID |
GQqynjhWwt |
| Name |
Cyclopropanedecanoic acid, 2-hexyl-.alpha.-hydroxy-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.282095081 u |
| Formula |
C20H38O3 |
| InChI |
InChI=1S/C20H38O3/c1-3-4-5-10-13-17-16-18(17)14-11-8-6-7-9-12-15-19(21)20(22)23-2/h17-19,21H,3-16H2,1-2H3 |
| InChIKey |
VZVGDXVNSUVPGK-UHFFFAOYSA-N |
| Molecular Weight |
326.521 g/mol |
| SMILES |
C(CC1C(CCCCCC)C1)CCCCCCC(C(OC)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.847206 |
