| SpectraBase Compound ID | 3w1faEs6sl1 |
|---|---|
| InChI | InChI=1S/C11H16O2/c1-4-6-7-8-9-11(12)13-10(3)5-2/h2,8-10H,4,6-7H2,1,3H3/b9-8+ |
| InChIKey | FUEUMTYFGBILID-CMDGGOBGSA-N |
| Mol Weight | 180.25 g/mol |
| Molecular Formula | C11H16O2 |
| Exact Mass | 180.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | sJEKSWLhvR |
|---|---|
| Name | 2-Heptenoic acid, but-3-yn-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.115029753 u |
| Formula | C11H16O2 |
| InChI | InChI=1S/C11H16O2/c1-4-6-7-8-9-11(12)13-10(3)5-2/h2,8-10H,4,6-7H2,1,3H3/b9-8+ |
| InChIKey | FUEUMTYFGBILID-CMDGGOBGSA-N |
| Molecular Weight | 180.247 g/mol |
| SMILES | C(\C=C\CCCC)(OC(C#C)C)=O |