| SpectraBase Compound ID | DRp12UDhdsp |
|---|---|
| InChI | InChI=1S/C14H12O4/c1-10-7-8-12(14(16)18-10)13(15)17-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3 |
| InChIKey | QYPBMRPVDOTLQN-UHFFFAOYSA-N |
| Mol Weight | 244.25 g/mol |
| Molecular Formula | C14H12O4 |
| Exact Mass | 244.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 59maVVibPMM |
|---|---|
| Name | Benzyl 6-methyl-2H-pyran-2-one-3-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.073558862 u |
| Formula | C14H12O4 |
| InChI | InChI=1S/C14H12O4/c1-10-7-8-12(14(16)18-10)13(15)17-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3 |
| InChIKey | QYPBMRPVDOTLQN-UHFFFAOYSA-N |
| Molecular Weight | 244.246 g/mol |
| SMILES | C=1(C(OC(=CC1)C)=O)C(OCC=1C=CC=CC1)=O |