| SpectraBase Spectrum ID |
Bx6xdIt6ZEw |
| Name |
3-Methyl-2-butenoic acid, 4-hexadecyl ester |
| 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/c1-5-7-8-9-10-11-12-13-14-15-17-20(16-6-2)23-21(22)18-19(3)4/h18,20H,5-17H2,1-4H3 |
| InChIKey |
KMAJMLGOJBTPTH-UHFFFAOYSA-N |
| Molecular Weight |
324.549 g/mol |
| SMILES |
C(CCCCCCCC)CCCC(CCC)OC(=O)C=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887857 |
