| SpectraBase Compound ID | 7hr1RXlsFF3 |
|---|---|
| InChI | InChI=1S/C9H16O2/c1-5-11-8(10)6-7-9(2,3)4/h6-7H,5H2,1-4H3/b7-6+ |
| InChIKey | MNBODUCODDEXEE-VOTSOKGWSA-N |
| Mol Weight | 156.22 g/mol |
| Molecular Formula | C9H16O2 |
| Exact Mass | 156.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Krmk2qJy4jI |
|---|---|
| Name | (E)-4,4-Dimethyl-2-pentenoic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.115029753 u |
| Formula | C9H16O2 |
| InChI | InChI=1S/C9H16O2/c1-5-11-8(10)6-7-9(2,3)4/h6-7H,5H2,1-4H3/b7-6+ |
| InChIKey | MNBODUCODDEXEE-VOTSOKGWSA-N |
| Molecular Weight | 156.225 g/mol |
| SMILES | C(\C=C\C(C)(C)C)(=O)OCC |