| SpectraBase Compound ID | 1klwM0UMbA0 |
|---|---|
| InChI | InChI=1S/C22H14O3/c23-21-13-7-1-2-8-14(13)22(24)20(21)19-15-9-3-5-11-17(15)25-18-12-6-4-10-16(18)19/h1-12,19-20H |
| InChIKey | ZFIMNJFROFDYCI-UHFFFAOYSA-N |
| Mol Weight | 326.35 g/mol |
| Molecular Formula | C22H14O3 |
| Exact Mass | 326.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7vkbiwxlst3 |
|---|---|
| Name | 2-(Xanthen-9-yl)-1,3-indandione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.094294308 u |
| Formula | C22H14O3 |
| InChI | InChI=1S/C22H14O3/c23-21-13-7-1-2-8-14(13)22(24)20(21)19-15-9-3-5-11-17(15)25-18-12-6-4-10-16(18)19/h1-12,19-20H |
| InChIKey | ZFIMNJFROFDYCI-UHFFFAOYSA-N |
| Molecular Weight | 326.351 g/mol |
| SMILES | C=12C=CC=CC1C(C(C2=O)C1C=2C=CC=CC2OC=2C=CC=CC12)=O |