| SpectraBase Compound ID | 6DyzrtGnbVM |
|---|---|
| InChI | InChI=1S/C13H12O3/c1-10-13(12(14)7-8-15-10)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3 |
| InChIKey | LQDVCPYRCOKNMV-UHFFFAOYSA-N |
| Mol Weight | 216.24 g/mol |
| Molecular Formula | C13H12O3 |
| Exact Mass | 216.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5lMZFBhoA8U |
|---|---|
| Name | 2-Methyl-3-phenylmethoxy-4-pyranone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.078644243 u |
| Formula | C13H12O3 |
| InChI | InChI=1S/C13H12O3/c1-10-13(12(14)7-8-15-10)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3 |
| InChIKey | LQDVCPYRCOKNMV-UHFFFAOYSA-N |
| Molecular Weight | 216.236 g/mol |
| SMILES | C1(=C(OC=CC1=O)C)OCC=1C=CC=CC1 |