| SpectraBase Compound ID | 8kEpHRY6ZyZ |
|---|---|
| InChI | InChI=1S/C22H18O2/c1-15-7-11-17(12-8-15)22(18-13-9-16(2)10-14-18)20-6-4-3-5-19(20)21(23)24-22/h3-14H,1-2H3 |
| InChIKey | IGUVEAWTILYVLT-UHFFFAOYSA-N |
| Mol Weight | 314.38 g/mol |
| Molecular Formula | C22H18O2 |
| Exact Mass | 314.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8v08uwoP8EI |
|---|---|
| Name | 1(3H)-Isobenzofuranone, 3,3-bis(4-methylphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.130679818 u |
| Formula | C22H18O2 |
| InChI | InChI=1S/C22H18O2/c1-15-7-11-17(12-8-15)22(18-13-9-16(2)10-14-18)20-6-4-3-5-19(20)21(23)24-22/h3-14H,1-2H3 |
| InChIKey | IGUVEAWTILYVLT-UHFFFAOYSA-N |
| SMILES | C1(OC(=O)C2=C1C=CC=C2)(C=1C=CC(=CC1)C)C=1C=CC(=CC1)C |