| SpectraBase Spectrum ID |
91RJfqIwcS |
| Name |
6-Amino-2-thioxo-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyridine-3,5-dicarbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.078661498 u |
| Formula |
C16H14N4O3S |
| InChI |
InChI=1S/C16H14N4O3S/c1-21-11-4-8(5-12(22-2)14(11)23-3)13-9(6-17)15(19)20-16(24)10(13)7-18/h4-5H,1-3H3,(H3,19,20,24) |
| InChIKey |
HJHHFEUMAYTLCM-UHFFFAOYSA-N |
| Molecular Weight |
342.373 g/mol |
| SMILES |
C1(=CC(=CC(=C1OC)OC)C=1C(=C(NC(C1C#N)=S)N)C#N)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917554 |
