| SpectraBase Spectrum ID |
GwvvE5DGhis |
| Name |
2,6-Diamino-4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.063011433 u |
| Formula |
C15H12N4O3S |
| InChI |
InChI=1S/C15H12N4O3S/c1-20-10-2-7(3-11-13(10)22-6-21-11)12-8(4-16)14(18)23-15(19)9(12)5-17/h2-3,12H,6,18-19H2,1H3 |
| InChIKey |
IJXJJWBTZQNAME-UHFFFAOYSA-N |
| Molecular Weight |
328.346 g/mol |
| SMILES |
COC1=CC(C2C(C#N)=C(SC(=C2C#N)N)N)=CC=2OCOC12 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953144 |
