| SpectraBase Spectrum ID |
A56gXJ3AByX |
| Name |
3,6-Dioxo-5-tolyl-2,5-diazabicyclo[2.2.2[octan-1-yl Thiocyanate |
| Alternate Name(s) |
5-(4-Methylphenyl)-3,6-dioxo-2,5-diazabicyclo[2.2.2]oct-1-yl thiocyanate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H13N3O2S |
| InChI |
InChI=1S/C14H13N3O2S/c1-9-2-4-10(5-3-9)17-11-6-7-14(13(17)19,20-8-15)16-12(11)18/h2-5,11H,6-7H2,1H3,(H,16,18) |
| InChIKey |
DOWKPMLNCVRPML-UHFFFAOYSA-N |
| Molecular Weight |
287.337 g/mol |
| SMILES |
N1C(C2N(C(C1(CC2)SC#N)=O)c1ccc(cc1)C)=O |
| SPLASH |
splash10-002r-0970000000-0e4faa7acf8231a724c6 |
| Source of Spectrum |
F-47-9267-3 |
| Wiley ID |
1290704 |
