| SpectraBase Spectrum ID |
HD4TeWfV2hs |
| Name |
4-(2-Cyanophenylmethyl)-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/c18-9-13-5-1-2-6-14(13)11-20-12-15(10-19)21-17-8-4-3-7-16(17)20/h1-8,12H,11H2 |
| InChIKey |
XMHLERCQWSLNSZ-UHFFFAOYSA-N |
| Molecular Weight |
289.356 g/mol |
| SMILES |
C=1(Sc2c(N(C1)Cc1c(cccc1)C#N)cccc2)C#N |
| SPLASH |
splash10-00di-0930000000-984eb1588e28b57cd2eb |
| Source of Spectrum |
SO-0-1080-2 |
| Synonyms |
4-(2-cyanobenzyl)-4H-1,4-benzothiazine-2-carbonitrile |
| Wiley ID |
1611986 |
