| SpectraBase Spectrum ID |
D0BQNZr7Ub9 |
| Name |
Ethyl 4-ethyl-2-methylenehexadecanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.302830526 u |
| Formula |
C21H40O2 |
| InChI |
InChI=1S/C21H40O2/c1-5-8-9-10-11-12-13-14-15-16-17-20(6-2)18-19(4)21(22)23-7-3/h20H,4-18H2,1-3H3 |
| InChIKey |
CQMHJSAHJURJNT-UHFFFAOYSA-N |
| Molecular Weight |
324.549 g/mol |
| SMILES |
C(OCC)(=O)C(=C)CC(CC)CCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906571 |
