| SpectraBase Spectrum ID |
6UgxPZnmmQd |
| Name |
Carbonic acid, 2-ethylhexyl undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.297745145 u |
| Formula |
C20H40O3 |
| InChI |
InChI=1S/C20H40O3/c1-4-7-9-10-11-12-13-14-15-17-22-20(21)23-18-19(6-3)16-8-5-2/h19H,4-18H2,1-3H3 |
| InChIKey |
KXRSWSNZEXTPLE-UHFFFAOYSA-N |
| Molecular Weight |
328.537 g/mol |
| SMILES |
C(OCCCCCCCCCCC)(OCC(CC)CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942922 |
