| SpectraBase Compound ID | 6ZhRCC1RbNv |
|---|---|
| InChI | InChI=1S/C19H21ClN2OS/c1-3-21(4-2)12-11-19(23)22-15-7-5-6-8-17(15)24-18-10-9-14(20)13-16(18)22/h5-10,13H,3-4,11-12H2,1-2H3 |
| InChIKey | ZZKWNLZUYAGVOT-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 | 5QgBqrs3ZA8 |
|---|---|
| Name | Chloracyzine |
| 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/c1-3-21(4-2)12-11-19(23)22-15-7-5-6-8-17(15)24-18-10-9-14(20)13-16(18)22/h5-10,13H,3-4,11-12H2,1-2H3 |
| InChIKey | ZZKWNLZUYAGVOT-UHFFFAOYSA-N |
| Molecular Weight | 360.903 g/mol |
| SMILES | C12=C(SC=3C(N2C(CCN(CC)CC)=O)=CC(=CC3)Cl)C=CC=C1 |