| SpectraBase Compound ID | 9HS9bjv3cjc |
|---|---|
| InChI | InChI=1S/C15H11ClN2S/c16-11-6-7-15-13(10-11)18(9-3-8-17)12-4-1-2-5-14(12)19-15/h1-2,4-7,10H,3,9H2 |
| InChIKey | BUHZIQWDEWOJBM-UHFFFAOYSA-N |
| Mol Weight | 286.78 g/mol |
| Molecular Formula | C15H11ClN2S |
| Exact Mass | 286.033147 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IRe8YAUJF8Q |
|---|---|
| Name | 2-Chloro-10-phenothiazinepropionitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.033147236 u |
| Formula | C15H11ClN2S |
| InChI | InChI=1S/C15H11ClN2S/c16-11-6-7-15-13(10-11)18(9-3-8-17)12-4-1-2-5-14(12)19-15/h1-2,4-7,10H,3,9H2 |
| InChIKey | BUHZIQWDEWOJBM-UHFFFAOYSA-N |
| Molecular Weight | 286.780 g/mol |
| SMILES | C(CCN1C=2C(SC3=C1C=C(C=C3)Cl)=CC=CC2)#N |