| SpectraBase Spectrum ID |
Isbb0C82pZr |
| Name |
3-Methyl-2-butenoic acid, undec-2-enyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.208930140 u |
| Formula |
C16H28O2 |
| InChI |
InChI=1S/C16H28O2/c1-4-5-6-7-8-9-10-11-12-13-18-16(17)14-15(2)3/h11-12,14H,4-10,13H2,1-3H3/b12-11+ |
| InChIKey |
DWOVFZMUPZHBTN-VAWYXSNFSA-N |
| Molecular Weight |
252.398 g/mol |
| SMILES |
CC(C)=CC(=O)OC\C=C\CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955236 |
