| SpectraBase Compound ID | DdKILmB2idM |
|---|---|
| InChI | InChI=1S/C21H16O5/c1-25-19-12-14(8-11-18(19)23)21(13-6-9-15(22)10-7-13)17-5-3-2-4-16(17)20(24)26-21/h2-12,22-23H,1H3 |
| InChIKey | BPXMVTJBIZGLFW-UHFFFAOYSA-N |
| Mol Weight | 348.35 g/mol |
| Molecular Formula | C21H16O5 |
| Exact Mass | 348.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BGmQEeEsoha |
|---|---|
| Name | 3'-Methoxyphenolphthalein |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.099773610 u |
| Formula | C21H16O5 |
| InChI | InChI=1S/C21H16O5/c1-25-19-12-14(8-11-18(19)23)21(13-6-9-15(22)10-7-13)17-5-3-2-4-16(17)20(24)26-21/h2-12,22-23H,1H3 |
| InChIKey | BPXMVTJBIZGLFW-UHFFFAOYSA-N |
| Molecular Weight | 348.354 g/mol |
| SMILES | OC=1C=CC(C2(C=3C=CC(=C(C3)OC)O)OC(C=3C=CC=CC23)=O)=CC1 |