| SpectraBase Compound ID | JRRkKAP5UyC |
|---|---|
| InChI | InChI=1S/C15H16O4/c1-15(2,3)13(16)9-18-11-6-4-10-5-7-14(17)19-12(10)8-11/h4-8H,9H2,1-3H3 |
| InChIKey | WADDQEVXGWCGMH-UHFFFAOYSA-N |
| Mol Weight | 260.29 g/mol |
| Molecular Formula | C15H16O4 |
| Exact Mass | 260.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6cnJ4jLEqbN |
|---|---|
| Name | 7-(3,3-Dimethyl-2-oxobutoxy)-2H-1-benzopyran-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.104858991 u |
| Formula | C15H16O4 |
| InChI | InChI=1S/C15H16O4/c1-15(2,3)13(16)9-18-11-6-4-10-5-7-14(17)19-12(10)8-11/h4-8H,9H2,1-3H3 |
| InChIKey | WADDQEVXGWCGMH-UHFFFAOYSA-N |
| Molecular Weight | 260.289 g/mol |
| SMILES | C1(C=CC=2C(O1)=CC(=CC2)OCC(C(C)(C)C)=O)=O |