| SpectraBase Compound ID | 1MgejOt4NPZ |
|---|---|
| InChI | InChI=1S/C20H16O4/c21-15-9-5-13(6-10-15)19(14-7-11-16(22)12-8-14)17-3-1-2-4-18(17)20(23)24/h1-12,19,21-22H,(H,23,24) |
| InChIKey | FFFPYJTVNSSLBQ-UHFFFAOYSA-N |
| Mol Weight | 320.34 g/mol |
| Molecular Formula | C20H16O4 |
| Exact Mass | 320.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2jGRDAe3lvx |
|---|---|
| Name | Phenolphthalin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.104858991 u |
| Formula | C20H16O4 |
| InChI | InChI=1S/C20H16O4/c21-15-9-5-13(6-10-15)19(14-7-11-16(22)12-8-14)17-3-1-2-4-18(17)20(23)24/h1-12,19,21-22H,(H,23,24) |
| InChIKey | FFFPYJTVNSSLBQ-UHFFFAOYSA-N |
| Molecular Weight | 320.344 g/mol |
| SMILES | C1(O)=CC=C(C(C=2C(C(=O)O)=CC=CC2)C2=CC=C(O)C=C2)C=C1 |