| SpectraBase Compound ID | 2fhJVfzSTIk |
|---|---|
| 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 |
| Mol Weight | 212.33 g/mol |
| Molecular Formula | C13H24O2 |
| Exact Mass | 212.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7rHIwaBGpLv |
|---|---|
| Name | 2,2-Dimethylpropanoic acid 3-methyleneheptyl ester |
| Comments | Computed using HOSE algorithm |
| 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 |