| SpectraBase Compound ID | 40Ys9b5Kta4 |
|---|---|
| InChI | InChI=1S/C9H14O4/c1-6(2)5-7(8(10)12-3)9(11)13-4/h7H,1,5H2,2-4H3 |
| InChIKey | JTNDZINZKNRYIT-UHFFFAOYSA-N |
| Mol Weight | 186.21 g/mol |
| Molecular Formula | C9H14O4 |
| Exact Mass | 186.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3F0B2Mm8c0M |
|---|---|
| Name | Propanedioic acid, (2-methyl-2-propenyl)-, dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.089208927 u |
| Formula | C9H14O4 |
| InChI | InChI=1S/C9H14O4/c1-6(2)5-7(8(10)12-3)9(11)13-4/h7H,1,5H2,2-4H3 |
| InChIKey | JTNDZINZKNRYIT-UHFFFAOYSA-N |
| Molecular Weight | 186.207 g/mol |
| SMILES | C(C(C(OC)=O)CC(C)=C)(OC)=O |