| SpectraBase Compound ID | 3MswQWckrda |
|---|---|
| InChI | InChI=1S/C16H16O/c1-12-6-8-14(9-7-12)16-11-10-13-4-2-3-5-15(13)17-16/h2-9,16H,10-11H2,1H3 |
| InChIKey | GXTUWUGETXDQSZ-UHFFFAOYSA-N |
| Mol Weight | 224.3 g/mol |
| Molecular Formula | C16H16O |
| Exact Mass | 224.120115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9AWVq8I53lx |
|---|---|
| Name | 2-(4-Methylphenyl)-3,4-dihydro-2H-1-benzopyran |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.120115134 u |
| Formula | C16H16O |
| InChI | InChI=1S/C16H16O/c1-12-6-8-14(9-7-12)16-11-10-13-4-2-3-5-15(13)17-16/h2-9,16H,10-11H2,1H3 |
| InChIKey | GXTUWUGETXDQSZ-UHFFFAOYSA-N |
| Molecular Weight | 224.303 g/mol |
| SMILES | C=12OC(CCC2=CC=CC1)C=1C=CC(=CC1)C |