| SpectraBase Compound ID | AGEEzsMdzQW |
|---|---|
| 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 |
| Mol Weight | 313.38 g/mol |
| Molecular Formula | C16H15N3O2S |
| Exact Mass | 313.088498 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | FabP8RiTJKe |
|---|---|
| Name | 1-Benzoyl-4-(phenylacetyl)thiosemicarbazide |
| Comments | Computed using HOSE algorithm |
| 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 |