| SpectraBase Compound ID | AF36PwuLNUZ |
|---|---|
| InChI | InChI=1S/C16H14O/c1-12-11-14-9-5-6-10-15(14)17-16(12)13-7-3-2-4-8-13/h2-11,16H,1H3 |
| InChIKey | AFUDOOFHHYRBSG-UHFFFAOYSA-N |
| Mol Weight | 222.29 g/mol |
| Molecular Formula | C16H14O |
| Exact Mass | 222.104465 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JYZ1cFt4cGp |
|---|---|
| Name | 3-Methyl-2-phenyl-2H-1-benzopyran |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.104465070 u |
| Formula | C16H14O |
| InChI | InChI=1S/C16H14O/c1-12-11-14-9-5-6-10-15(14)17-16(12)13-7-3-2-4-8-13/h2-11,16H,1H3 |
| InChIKey | AFUDOOFHHYRBSG-UHFFFAOYSA-N |
| Molecular Weight | 222.287 g/mol |
| SMILES | C1(OC=2C(C=C1C)=CC=CC2)C1=CC=CC=C1 |