| SpectraBase Compound ID | Drmv87ujhrt |
|---|---|
| InChI | InChI=1S/C9H14O3/c1-9(2,3)7(10)5-6-8(11)12-4/h5-6H,1-4H3/b6-5+ |
| InChIKey | XPVDNBOOYLQNGW-AATRIKPKSA-N |
| Mol Weight | 170.21 g/mol |
| Molecular Formula | C9H14O3 |
| Exact Mass | 170.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BFyN6FvHuBI |
|---|---|
| Name | (E)-4-Keto-5,5-dimethyl-hex-2-enoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.094294308 u |
| Formula | C9H14O3 |
| InChI | InChI=1S/C9H14O3/c1-9(2,3)7(10)5-6-8(11)12-4/h5-6H,1-4H3/b6-5+ |
| InChIKey | XPVDNBOOYLQNGW-AATRIKPKSA-N |
| Molecular Weight | 170.208 g/mol |
| SMILES | C(\C=C\C(=O)OC)(C(C)(C)C)=O |