| SpectraBase Compound ID | CriSUqUlzS8 |
|---|---|
| InChI | InChI=1S/C12H22O2/c1-4-5-6-7-8-9-14-12(13)10-11(2)3/h10H,4-9H2,1-3H3 |
| InChIKey | WAJLPLLODUHMQP-UHFFFAOYSA-N |
| Mol Weight | 198.31 g/mol |
| Molecular Formula | C12H22O2 |
| Exact Mass | 198.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ctGx4nkRjA |
|---|---|
| Name | 3-Methyl-2-butenoic acid, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.161979946 u |
| Formula | C12H22O2 |
| InChI | InChI=1S/C12H22O2/c1-4-5-6-7-8-9-14-12(13)10-11(2)3/h10H,4-9H2,1-3H3 |
| InChIKey | WAJLPLLODUHMQP-UHFFFAOYSA-N |
| Molecular Weight | 198.306 g/mol |
| SMILES | CCCCCCCOC(=O)C=C(C)C |