| SpectraBase Spectrum ID |
7BbsBObf3ef |
| Name |
(S)-2-(3-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-3-oxo-1-(p-tolyl)propyl)malononitrile |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H19N5O |
| InChI |
InChI=1S/C22H19N5O/c1-15-8-10-17(11-9-15)20(18(13-23)14-24)12-21(28)22-16(2)27(26-25-22)19-6-4-3-5-7-19/h3-11,18,20H,12H2,1-2H3/t20-/m1/s1 |
| InChIKey |
BYKMXTJDCFHKIV-HXUWFJFHSA-N |
| Literature Reference DOI |
10.1039/c4gc00386a |
| Molecular Weight |
369.428 g/mol |
| SMILES |
C(C(C#N)[C@]([H])(CC(c1c(C)[n](-c2ccccc2)nn1)=O)c1ccc(cc1)C)#N |
| SPLASH |
splash10-004i-9500000000-3d3ac6c64d18fa82f95d |
| Source of Spectrum |
GCH-16-3454/SM10-6b |
| Wiley ID |
1755412 |
