| SpectraBase Spectrum ID |
7SmnCdcchQH |
| Name |
Carbonic acid, dodecyl 2-ethylhexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.313395209 u |
| Formula |
C21H42O3 |
| InChI |
InChI=1S/C21H42O3/c1-4-7-9-10-11-12-13-14-15-16-18-23-21(22)24-19-20(6-3)17-8-5-2/h20H,4-19H2,1-3H3 |
| InChIKey |
IACNBKMHIJAJGQ-UHFFFAOYSA-N |
| Molecular Weight |
342.564 g/mol |
| SMILES |
C(OCCCCCCCCCCCC)(OCC(CC)CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922531 |
