| SpectraBase Spectrum ID |
5unxGHPlabM |
| Name |
1-Benzoyl-4-(phenylacetyl)thiosemicarbazide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.088497907 u |
| Formula |
C16H15N3O2S |
| InChI |
InChI=1S/C16H15N3O2S/c20-14(11-12-7-3-1-4-8-12)17-16(22)19-18-15(21)13-9-5-2-6-10-13/h1-10H,11H2,(H,18,21)(H2,17,19,20,22) |
| InChIKey |
MKBJDODQRPEHGT-UHFFFAOYSA-N |
| Molecular Weight |
313.375 g/mol |
| SMILES |
C=1C=C(CC(NC(NNC(C2=CC=CC=C2)=O)=S)=O)C=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962413 |
