| SpectraBase Compound ID | 1I0i4XRFDz7 |
|---|---|
| InChI | InChI=1S/C20H12O7/c21-13-7-5-11-17(15(13)23)26-18-12(6-8-14(22)16(18)24)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,21-24H |
| InChIKey | PHLYOKFVXIVOJC-UHFFFAOYSA-N |
| Mol Weight | 364.31 g/mol |
| Molecular Formula | C20H12O7 |
| Exact Mass | 364.058303 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | LFdwWZU5je2 |
|---|---|
| Name | Gallein |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.058302719 u |
| Formula | C20H12O7 |
| InChI | InChI=1S/C20H12O7/c21-13-7-5-11-17(15(13)23)26-18-12(6-8-14(22)16(18)24)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,21-24H |
| InChIKey | PHLYOKFVXIVOJC-UHFFFAOYSA-N |
| SMILES | OC1=C(C2=C(C3(C=4C=CC(=C(C4O2)O)O)C=2C=CC=CC2C(O3)=O)C=C1)O |
| Spectrum/Structure Validation Score (Raman) | 0.878747 |