| SpectraBase Compound ID | 3Qee9F3XuKh |
|---|---|
| InChI | InChI=1S/C8H12O3/c1-2-3-4-5-7(9)6-8(10)11/h7,9H,4-6H2,1H3,(H,10,11) |
| InChIKey | QJMSELGYZLXRSQ-UHFFFAOYSA-N |
| Mol Weight | 156.18 g/mol |
| Molecular Formula | C8H12O3 |
| Exact Mass | 156.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HOMayqk8LKo |
|---|---|
| Name | 3-Hydroxy-6-octynoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.078644243 u |
| Formula | C8H12O3 |
| InChI | InChI=1S/C8H12O3/c1-2-3-4-5-7(9)6-8(10)11/h7,9H,4-6H2,1H3,(H,10,11) |
| InChIKey | QJMSELGYZLXRSQ-UHFFFAOYSA-N |
| Molecular Weight | 156.181 g/mol |
| SMILES | C(#CCCC(CC(=O)O)O)C |