SpectraBase Compound ID | Cq2E2kWToMC |
---|---|
InChI | InChI=1S/C9H5ClN2S/c10-5-1-2-8-6(3-5)7-4-11-13-9(7)12-8/h1-4,12H |
InChIKey | SEPGNZAUFQRWBK-UHFFFAOYSA-N |
Mol Weight | 208.67 g/mol |
Molecular Formula | C9H5ClN2S |
Exact Mass | 207.986197 g/mol |
SpectraBase Spectrum ID | JeIqyb9lKgl |
---|---|
Name | 5-Chlorobrassilexin |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C9H5ClN2S |
InChI | InChI=1S/C9H5ClN2S/c10-5-1-2-8-6(3-5)7-4-11-13-9(7)12-8/h1-4,12H |
InChIKey | SEPGNZAUFQRWBK-UHFFFAOYSA-N |
Molecular Weight | 208.666 g/mol |
SMILES | [nH]1c2c(c3c1snc3)cc(cc2)Cl |
SPLASH | splash10-03di-0390000000-d6a0524b3abdde8bdef9 |
Source of Spectrum | F-70-1834-24 |
Wiley ID | 1596492 |