| SpectraBase Spectrum ID |
E3O5U8kNrrg |
| Name |
5-Benzoyl-6-(methylsulfanyl)-2-oxo-1,2-dihydro-3-pyridinecarbononitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
270.046298742 u |
| Formula |
C14H10N2O2S |
| InChI |
InChI=1S/C14H10N2O2S/c1-19-14-11(7-10(8-15)13(18)16-14)12(17)9-5-3-2-4-6-9/h2-7H,1H3,(H,16,18) |
| InChIKey |
KGLCTQWZDNSDOH-UHFFFAOYSA-N |
| SMILES |
C1(=C(NC(C(=C1)C#N)=O)SC)C(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966586 |
