| SpectraBase Spectrum ID |
BQLQ8gnifXd |
| Name |
Methyl 8-(2-octyl-3-oxo-1-cyclopropenyl)octanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.250794952 u |
| Formula |
C20H34O3 |
| InChI |
InChI=1S/C20H34O3/c1-3-4-5-6-8-11-14-17-18(20(17)22)15-12-9-7-10-13-16-19(21)23-2/h3-16H2,1-2H3 |
| InChIKey |
FXTIJFRFQUHCTG-UHFFFAOYSA-N |
| Molecular Weight |
322.489 g/mol |
| SMILES |
C1(=C(CCCCCCCC)C1=O)CCCCCCCC(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913377 |
