| SpectraBase Compound ID | COhoY6kuCD0 |
|---|---|
| InChI | InChI=1S/C16H14O2/c1-11-6-2-3-7-12(11)14-10-18-15-9-5-4-8-13(15)16(14)17/h2-9,14H,10H2,1H3 |
| InChIKey | KNMWKBWCMJBJHW-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 | Uc4SNSys59 |
|---|---|
| Name | 3-o-Tolyl-4-chromanone |
| 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/c1-11-6-2-3-7-12(11)14-10-18-15-9-5-4-8-13(15)16(14)17/h2-9,14H,10H2,1H3 |
| InChIKey | KNMWKBWCMJBJHW-UHFFFAOYSA-N |
| Molecular Weight | 238.286 g/mol |
| SMILES | C1C(C(C=2C=CC=CC2O1)=O)C=1C(=CC=CC1)C |