| SpectraBase Spectrum ID |
BCvoKnc59Lv |
| Name |
1,2-Cyclohexanedicarboxylic acid, allyl nonyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.245709571 u |
| Formula |
C20H34O4 |
| InChI |
InChI=1S/C20H34O4/c1-3-5-6-7-8-9-12-16-24-20(22)18-14-11-10-13-17(18)19(21)23-15-4-2/h4,17-18H,2-3,5-16H2,1H3 |
| InChIKey |
RTQICOOLQBUXRU-UHFFFAOYSA-N |
| Molecular Weight |
338.488 g/mol |
| SMILES |
C1(CCCCC1C(OCCCCCCCCC)=O)C(=O)OCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903273 |
