| SpectraBase Compound ID | 7o7nE9Xk4kV |
|---|---|
| InChI | InChI=1S/C12H14O3/c1-7-4-10(14)15-9-6-12(2,3)5-8(13)11(7)9/h4H,5-6H2,1-3H3 |
| InChIKey | HJUGCIXWIAMGBH-UHFFFAOYSA-N |
| Mol Weight | 206.24 g/mol |
| Molecular Formula | C12H14O3 |
| Exact Mass | 206.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ElQOEjIDK7B |
|---|---|
| Name | 7,8-Dihydro-4,7,7-trimethyl-2H-1-benzopyran-2,5(6H)-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.094294308 u |
| Formula | C12H14O3 |
| InChI | InChI=1S/C12H14O3/c1-7-4-10(14)15-9-6-12(2,3)5-8(13)11(7)9/h4H,5-6H2,1-3H3 |
| InChIKey | HJUGCIXWIAMGBH-UHFFFAOYSA-N |
| Molecular Weight | 206.241 g/mol |
| SMILES | C=12C(CC(CC1OC(C=C2C)=O)(C)C)=O |