| SpectraBase Spectrum ID |
62xTkgSYVYw |
| Name |
4-(4-Cyanophenylmethyl)-4H-1,4-benzothiazine-2-carbonitrile |
| Alternate Name(s) |
4-(4-cyanobenzyl)-4H-1,4-benzothiazine-2-carbonitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H11N3S |
| InChI |
InChI=1S/C17H11N3S/c18-9-13-5-7-14(8-6-13)11-20-12-15(10-19)21-17-4-2-1-3-16(17)20/h1-8,12H,11H2 |
| InChIKey |
DTJORAVLLUUFRA-UHFFFAOYSA-N |
| Molecular Weight |
289.356 g/mol |
| SMILES |
C=1N(c2c(SC1C#N)cccc2)Cc1ccc(C#N)cc1 |
| SPLASH |
splash10-00di-0900000000-7de38bd8438bbf37fec7 |
| Source of Spectrum |
SO-0-1080-2 |
| Wiley ID |
1611985 |
