| SpectraBase Spectrum ID |
CkaKclblj8r |
| Name |
2-Chloro-10-phenothiazinepropionitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899754 |
