| SpectraBase Spectrum ID |
8f3bZYI0kDe |
| Name |
2-(1-Benzyl-5-methyl-2-oxoindolin-3-ylidene)malononitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
299.105862050 u |
| Formula |
C19H13N3O |
| InChI |
InChI=1S/C19H13N3O/c1-13-7-8-17-16(9-13)18(15(10-20)11-21)19(23)22(17)12-14-5-3-2-4-6-14/h2-9H,12H2,1H3 |
| InChIKey |
KKHGDCGJVSQEFO-UHFFFAOYSA-N |
| SMILES |
C1(=CC=C2N(CC3=CC=CC=C3)C(C(=C(C#N)C#N)C2=C1)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.870479 |
