| SpectraBase Compound ID | 2i6Bq3lq1Li |
|---|---|
| InChI | InChI=1S/C12H10Cl3NO/c13-12(14,15)11(17)7-8-5-6-16-10-4-2-1-3-9(8)10/h1-6,11,17H,7H2 |
| InChIKey | UHPNIRAMQCYUHZ-UHFFFAOYSA-N |
| Mol Weight | 290.58 g/mol |
| Molecular Formula | C12H10Cl3NO |
| Exact Mass | 288.982797 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J7sccaJLiPV |
|---|---|
| Name | Chlorallepidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.982797045 u |
| Formula | C12H10Cl3NO |
| InChI | InChI=1S/C12H10Cl3NO/c13-12(14,15)11(17)7-8-5-6-16-10-4-2-1-3-9(8)10/h1-6,11,17H,7H2 |
| InChIKey | UHPNIRAMQCYUHZ-UHFFFAOYSA-N |
| SMILES | C(Cl)(Cl)(Cl)C(O)CC1=CC=NC=2C1=CC=CC2 |