| SpectraBase Compound ID | 1Xf4hYZU4n |
|---|---|
| InChI | InChI=1S/C17H14O2/c1-12-15(11-13-7-3-2-4-8-13)17(18)14-9-5-6-10-16(14)19-12/h2-10H,11H2,1H3 |
| InChIKey | WTPHNPYSUQUJEI-UHFFFAOYSA-N |
| Mol Weight | 250.3 g/mol |
| Molecular Formula | C17H14O2 |
| Exact Mass | 250.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ix55UNzeyi8 |
|---|---|
| Name | 4H-1-Benzopyran-4-one, 2-methyl-3-(phenylmethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.099379689 u |
| Formula | C17H14O2 |
| InChI | InChI=1S/C17H14O2/c1-12-15(11-13-7-3-2-4-8-13)17(18)14-9-5-6-10-16(14)19-12/h2-10H,11H2,1H3 |
| InChIKey | WTPHNPYSUQUJEI-UHFFFAOYSA-N |
| Molecular Weight | 250.297 g/mol |
| SMILES | C=1(C(C=2C=CC=CC2OC1C)=O)CC1=CC=CC=C1 |