| SpectraBase Compound ID | G8CgnQz9yy7 |
|---|---|
| InChI | InChI=1S/C11H14O3/c1-8(2)11(12)14-10-7-5-4-6-9(10)13-3/h4-8H,1-3H3 |
| InChIKey | YXJFCJJDNPANPU-UHFFFAOYSA-N |
| Mol Weight | 194.23 g/mol |
| Molecular Formula | C11H14O3 |
| Exact Mass | 194.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GLdjTQAfjub |
|---|---|
| Name | Guaiacol, 2-methylpropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.094294308 u |
| Formula | C11H14O3 |
| InChI | InChI=1S/C11H14O3/c1-8(2)11(12)14-10-7-5-4-6-9(10)13-3/h4-8H,1-3H3 |
| InChIKey | YXJFCJJDNPANPU-UHFFFAOYSA-N |
| Molecular Weight | 194.230 g/mol |
| SMILES | C1(=CC=CC=C1OC(C(C)C)=O)OC |