| SpectraBase Compound ID | KkJNdN3Phwv |
|---|---|
| InChI | InChI=1S/C19H21ClN2OS/c1-3-22(4-2)11-12-23-16-8-5-14(6-9-16)19-21-17-13-15(20)7-10-18(17)24-19/h5-10,13H,3-4,11-12H2,1-2H3 |
| InChIKey | TXOKWXJQVFUUDD-UHFFFAOYSA-N |
| Mol Weight | 360.9 g/mol |
| Molecular Formula | C19H21ClN2OS |
| Exact Mass | 360.106312 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J1cQAtDKGRs |
|---|---|
| Name | Halethazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.106312177 u |
| Formula | C19H21ClN2OS |
| InChI | InChI=1S/C19H21ClN2OS/c1-3-22(4-2)11-12-23-16-8-5-14(6-9-16)19-21-17-13-15(20)7-10-18(17)24-19/h5-10,13H,3-4,11-12H2,1-2H3 |
| InChIKey | TXOKWXJQVFUUDD-UHFFFAOYSA-N |
| Molecular Weight | 360.903 g/mol |
| SMILES | CCN(CCOC1=CC=C(C=C1)C1=NC2=CC(=CC=C2S1)Cl)CC |