| SpectraBase Compound ID | HIFlUhAx6ep |
|---|---|
| InChI | InChI=1S/C14H10O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-7,15-17H |
| InChIKey | YUTJCNNFTOIOGT-UHFFFAOYSA-N |
| Mol Weight | 226.23 g/mol |
| Molecular Formula | C14H10O3 |
| Exact Mass | 226.062994 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CmU6w5D3z5W |
|---|---|
| Name | Dithranol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.062994179 u |
| Formula | C14H10O3 |
| InChI | InChI=1S/C14H10O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-7,15-17H |
| InChIKey | YUTJCNNFTOIOGT-UHFFFAOYSA-N |
| Molecular Weight | 226.231 g/mol |
| SMILES | OC=1C=2C(=CC=CC2C=C2C=CC=C(C12)O)O |
| Spectrum/Structure Validation Score (Raman) | 0.935784 |