| SpectraBase Compound ID | BWI4yHOAoEF |
|---|---|
| InChI | InChI=1S/C9H12O2/c1-4-5-6-8(2)7-9(10)11-3/h1,7H,5-6H2,2-3H3/b8-7+ |
| InChIKey | SXUNNTYKWKNCLP-BQYQJAHWSA-N |
| Mol Weight | 152.19 g/mol |
| Molecular Formula | C9H12O2 |
| Exact Mass | 152.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8N4Y4b6f8Xp |
|---|---|
| Name | 3-Methyl hept-2-en-6-ynoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 152.083729624 u |
| Formula | C9H12O2 |
| InChI | InChI=1S/C9H12O2/c1-4-5-6-8(2)7-9(10)11-3/h1,7H,5-6H2,2-3H3/b8-7+ |
| InChIKey | SXUNNTYKWKNCLP-BQYQJAHWSA-N |
| Molecular Weight | 152.193 g/mol |
| SMILES | C(#C)CC\C(=C\C(=O)OC)C |