| SpectraBase Spectrum ID |
IL0iU7FuUng |
| Name |
4-Acetyl-2-acetylamino-5-para-acetylaminophenyl-4,5-dihydro-1,3,4-thiadiazole |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.094311562 u |
| Formula |
C14H16N4O3S |
| InChI |
InChI=1S/C14H16N4O3S/c1-8(19)15-12-6-4-11(5-7-12)13-18(10(3)21)17-14(22-13)16-9(2)20/h4-7,13H,1-3H3,(H,15,19)(H,16,17,20) |
| InChIKey |
BTRXMVWUYCTKGL-UHFFFAOYSA-N |
| Molecular Weight |
320.367 g/mol |
| SMILES |
C(N1N=C(NC(=O)C)SC1C1=CC=C(NC(=O)C)C=C1)(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959756 |
