| SpectraBase Spectrum ID |
1qgBuvPmlFm |
| Name |
2,2-Dimethylpropanoic acid 3-methyleneheptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
212.177630011 u |
| Formula |
C13H24O2 |
| InChI |
InChI=1S/C13H24O2/c1-6-7-8-11(2)9-10-15-12(14)13(3,4)5/h2,6-10H2,1,3-5H3 |
| InChIKey |
GOPOUUXLFLMZID-UHFFFAOYSA-N |
| Molecular Weight |
212.333 g/mol |
| SMILES |
C(C(C)(C)C)(=O)OCCC(=C)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979076 |
