| SpectraBase Compound ID | FsT6RUzSKQB |
|---|---|
| InChI | InChI=1S/C18H18O3/c1-18(2)10-14(19)17-13(8-12-6-4-3-5-7-12)9-16(20)21-15(17)11-18/h3-7,9H,8,10-11H2,1-2H3 |
| InChIKey | YZJGNKRYGFMZQH-UHFFFAOYSA-N |
| Mol Weight | 282.34 g/mol |
| Molecular Formula | C18H18O3 |
| Exact Mass | 282.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DqzWW04mDOh |
|---|---|
| Name | 4-Benzyl-7,7-dimethyl-7,8-dihydro-2H-chromene-2,5(6H)-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.125594437 u |
| Formula | C18H18O3 |
| InChI | InChI=1S/C18H18O3/c1-18(2)10-14(19)17-13(8-12-6-4-3-5-7-12)9-16(20)21-15(17)11-18/h3-7,9H,8,10-11H2,1-2H3 |
| InChIKey | YZJGNKRYGFMZQH-UHFFFAOYSA-N |
| SMILES | C1(C=C(C=2C(CC(CC2O1)(C)C)=O)CC=1C=CC=CC1)=O |