| SpectraBase Compound ID | 1grT9alWzlD |
|---|---|
| InChI | InChI=1S/C19H14O2/c1-19(17-11-5-4-10-15(17)18(20)21-19)16-12-6-8-13-7-2-3-9-14(13)16/h2-12H,1H3 |
| InChIKey | YACSHPRFFGCFKV-UHFFFAOYSA-N |
| Mol Weight | 274.32 g/mol |
| Molecular Formula | C19H14O2 |
| Exact Mass | 274.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5CMIoYoyY66 |
|---|---|
| Name | 3-Methyl-3-(naphthalen-1-yl)isobenzofuran-1(3H)-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.099379689 u |
| Formula | C19H14O2 |
| InChI | InChI=1S/C19H14O2/c1-19(17-11-5-4-10-15(17)18(20)21-19)16-12-6-8-13-7-2-3-9-14(13)16/h2-12H,1H3 |
| InChIKey | YACSHPRFFGCFKV-UHFFFAOYSA-N |
| Molecular Weight | 274.319 g/mol |
| SMILES | C1(OC(C2=CC=CC3=C2C=CC=C3)(C)C2=C1C=CC=C2)=O |