| SpectraBase Spectrum ID |
6QTgrljSKYO |
| Name |
4-(p-Methoxyphenyl)-3-buten-2-one thiosemicarbazone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.093583288 u |
| Formula |
C12H15N3OS |
| InChI |
InChI=1S/C12H15N3OS/c1-9(14-15-12(13)17)3-4-10-5-7-11(16-2)8-6-10/h3-8H,1-2H3,(H3,13,15,17)/b4-3+,14-9+ |
| InChIKey |
LHHIWFIZRSMHOO-LDKZCNOQSA-N |
| Molecular Weight |
249.332 g/mol |
| SMILES |
C1=C(C=CC(=C1)OC)\C=C\C(=N\NC(N)=S)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940141 |
