| SpectraBase Spectrum ID |
K06NpWaGHv7 |
| Name |
Benzenepropanenitrile, .alpha.-[1-aziridinyl(methylthio)methylene]-.beta.-oxo- |
| CAS Registry Number |
76182-55-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H12N2OS |
| InChI |
InChI=1S/C13H12N2OS/c1-17-13(15-7-8-15)11(9-14)12(16)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3/b13-11+ |
| InChIKey |
GLYYBKMUYUJQKI-ACCUITESSA-N |
| Molecular Weight |
244.312 g/mol |
| SMILES |
C1N(\C(=C/(C(=O)c2ccccc2)C#N)SC)C1 |
| SPLASH |
splash10-054o-0790000000-6e1a66363b1659f87cb6 |
| Source of Spectrum |
F-36-1798-0 |
| Synonyms |
(2E)-3-(1-aziridinyl)-2-benzoyl-3-(methylsulfanyl)-2-propenenitrile
2-Benzoyl-3-(1-aziridinyl)-3-methylthio-acrylonitrile |
| Wiley ID |
1246858 |
![Benzenepropanenitrile, .alpha.-[1-aziridinyl(methylthio)methylene]-.beta.-oxo-](/api/spectrum/K06NpWaGHv7/structure.png?h=300&w=458 "Benzenepropanenitrile, .alpha.-[1-aziridinyl(methylthio)methylene]-.beta.-oxo-")
