| SpectraBase Compound ID | FG3DZAvkRLG |
|---|---|
| InChI | InChI=1S/C10H8O4/c1-2-5-14-10(13)8-6-7(11)3-4-9(8)12/h1,3-4,6,11-12H,5H2 |
| InChIKey | PTLAXAURVNQVDO-UHFFFAOYSA-N |
| Mol Weight | 192.17 g/mol |
| Molecular Formula | C10H8O4 |
| Exact Mass | 192.042259 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3cV5KiQ8Btu |
|---|---|
| Name | 2,5-Dihydroxybenzoic acid prop-2-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.042258734 u |
| Formula | C10H8O4 |
| InChI | InChI=1S/C10H8O4/c1-2-5-14-10(13)8-6-7(11)3-4-9(8)12/h1,3-4,6,11-12H,5H2 |
| InChIKey | PTLAXAURVNQVDO-UHFFFAOYSA-N |
| Molecular Weight | 192.170 g/mol |
| SMILES | C=1(C(=O)OCC#C)C(=CC=C(C1)O)O |