| SpectraBase Compound ID | 1Pcx2y3c3Se |
|---|---|
| InChI | InChI=1S/C9H14O2/c1-3-4-5-6-7-8-9(10)11-2/h1H,4-8H2,2H3 |
| InChIKey | ZOSMTPMVTGVSDE-UHFFFAOYSA-N |
| Mol Weight | 154.21 g/mol |
| Molecular Formula | C9H14O2 |
| Exact Mass | 154.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7lQnIsTH8P5 |
|---|---|
| Name | 7-Octynoic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.099379689 u |
| Formula | C9H14O2 |
| InChI | InChI=1S/C9H14O2/c1-3-4-5-6-7-8-9(10)11-2/h1H,4-8H2,2H3 |
| InChIKey | ZOSMTPMVTGVSDE-UHFFFAOYSA-N |
| Molecular Weight | 154.209 g/mol |
| SMILES | C(CCCCC#C)C(OC)=O |