![2H,8H-Benzo[1,2-B:5,4-B']dipyran-2-one, 8,8-dimethyl-](/api/spectrum/KPFt7Rp8OQ/structure.png?h=300&w=458 "2H,8H-Benzo[1,2-B:5,4-B']dipyran-2-one, 8,8-dimethyl-")
| SpectraBase Compound ID | 2V9Qac4W3FJ |
|---|---|
| InChI | InChI=1S/C14H12O3/c1-14(2)6-5-10-7-9-3-4-13(15)16-11(9)8-12(10)17-14/h3-8H,1-2H3 |
| InChIKey | QOTBQNVNUBKJMS-UHFFFAOYSA-N |
| Mol Weight | 228.25 g/mol |
| Molecular Formula | C14H12O3 |
| Exact Mass | 228.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KPFt7Rp8OQ |
|---|---|
| Name | 2H,8H-Benzo[1,2-B:5,4-B']dipyran-2-one, 8,8-dimethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.078644243 u |
| Formula | C14H12O3 |
| InChI | InChI=1S/C14H12O3/c1-14(2)6-5-10-7-9-3-4-13(15)16-11(9)8-12(10)17-14/h3-8H,1-2H3 |
| InChIKey | QOTBQNVNUBKJMS-UHFFFAOYSA-N |
| Molecular Weight | 228.247 g/mol |
| SMILES | C12=C(C=C3C(=C2)C=CC(O3)(C)C)OC(C=C1)=O |