| SpectraBase Compound ID | Hz0RG3J1b90 |
|---|---|
| InChI | InChI=1S/C14H10Cl3NO/c1-8-3-2-4-11(16)13(8)18-14(19)9-5-6-10(15)12(17)7-9/h2-7H,1H3,(H,18,19) |
| InChIKey | SPUJGYYTJAVOOD-UHFFFAOYSA-N |
| Mol Weight | 314.6 g/mol |
| Molecular Formula | C14H10Cl3NO |
| Exact Mass | 312.982797 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HXoAwVxr8th |
|---|---|
| Name | 3,4,6'-Trichloro-o-benzotoluidide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.982797045 u |
| Formula | C14H10Cl3NO |
| InChI | InChI=1S/C14H10Cl3NO/c1-8-3-2-4-11(16)13(8)18-14(19)9-5-6-10(15)12(17)7-9/h2-7H,1H3,(H,18,19) |
| InChIKey | SPUJGYYTJAVOOD-UHFFFAOYSA-N |
| Molecular Weight | 314.599 g/mol |
| SMILES | N(C1=C(C=CC=C1C)Cl)C(C1=CC=C(C(=C1)Cl)Cl)=O |