| SpectraBase Compound ID | E7tQs0cxIT8 |
|---|---|
| InChI | InChI=1S/C16H14O2/c17-16-15-9-5-4-8-13(15)11-14(18-16)10-12-6-2-1-3-7-12/h1-9,14H,10-11H2 |
| InChIKey | HCUSPJGHRICUSM-UHFFFAOYSA-N |
| Mol Weight | 238.29 g/mol |
| Molecular Formula | C16H14O2 |
| Exact Mass | 238.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LgRumvYHlVh |
|---|---|
| Name | 3-(Phenylmethyl)-3,4-dihydro-1H-2-benzopyran-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.099379689 u |
| Formula | C16H14O2 |
| InChI | InChI=1S/C16H14O2/c17-16-15-9-5-4-8-13(15)11-14(18-16)10-12-6-2-1-3-7-12/h1-9,14H,10-11H2 |
| InChIKey | HCUSPJGHRICUSM-UHFFFAOYSA-N |
| Molecular Weight | 238.286 g/mol |
| SMILES | C1(=O)OC(CC=2C=CC=CC12)CC=1C=CC=CC1 |