| SpectraBase Spectrum ID |
5ZZWlgP1BPZ |
| Name |
2-Acetylpyridine 4-methyl-4-.beta.-phenethylthiosemicarbazone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.140867834 u |
| Formula |
C17H20N4S |
| InChI |
InChI=1S/C17H20N4S/c1-14(16-10-6-7-12-18-16)19-20-17(22)21(2)13-11-15-8-4-3-5-9-15/h3-10,12H,11,13H2,1-2H3,(H,20,22)/b19-14- |
| InChIKey |
ZCTGZDKANRDHNN-RGEXLXHISA-N |
| Molecular Weight |
312.435 g/mol |
| SMILES |
CN(C(N\N=C/(C1=CC=CC=N1)C)=S)CCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956628 |
