| SpectraBase Spectrum ID |
2HXFbGbJyCp |
| Name |
11-(2-Propylcyclopropyl)undecanoic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.255880333 u |
| Formula |
C18H34O2 |
| InChI |
InChI=1S/C18H34O2/c1-3-12-16-15-17(16)13-10-8-6-4-5-7-9-11-14-18(19)20-2/h16-17H,3-15H2,1-2H3 |
| InChIKey |
HTMWGGZBCWYVQQ-UHFFFAOYSA-N |
| Molecular Weight |
282.468 g/mol |
| SMILES |
C(CCCCCCCCCCC1C(C1)CCC)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938137 |
