| SpectraBase Spectrum ID |
BT7ZKL30E83 |
| Name |
2-N-methylanilino-3-phenylthiopentanenitrile |
| Alternate Name(s) |
2-[methyl(phenyl)amino]-3-(phenylsulfanyl)pentanenitrile |
| CAS Registry Number |
117909-39-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H20N2S |
| InChI |
InChI=1S/C18H20N2S/c1-3-18(21-16-12-8-5-9-13-16)17(14-19)20(2)15-10-6-4-7-11-15/h4-13,17-18H,3H2,1-2H3 |
| InChIKey |
XDKAJTKMLUOOBR-UHFFFAOYSA-N |
| Molecular Weight |
296.432 g/mol |
| SMILES |
C(N(c1ccccc1)C)(C#N)C(Sc1ccccc1)CC |
| SPLASH |
splash10-0udj-0910000000-ae2793067b9d99ffccbf |
| Source of Spectrum |
KC-1988-1947-11 |
| Wiley ID |
1299387 |
