| SpectraBase Compound ID | JEy8Gw9Cxze |
|---|---|
| InChI | InChI=1S/C10H12O3/c1-7(2)10(12)13-9-5-3-4-8(11)6-9/h3-7,11H,1-2H3 |
| InChIKey | YOHYBGYAUVTLDR-UHFFFAOYSA-N |
| Mol Weight | 180.2 g/mol |
| Molecular Formula | C10H12O3 |
| Exact Mass | 180.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EhOMvGdFSF9 |
|---|---|
| Name | 1,3-Benzenediol, o-isobutyryl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.078644243 u |
| Formula | C10H12O3 |
| InChI | InChI=1S/C10H12O3/c1-7(2)10(12)13-9-5-3-4-8(11)6-9/h3-7,11H,1-2H3 |
| InChIKey | YOHYBGYAUVTLDR-UHFFFAOYSA-N |
| Molecular Weight | 180.203 g/mol |
| SMILES | C1=CC(=CC(=C1)O)OC(C(C)C)=O |