![1-[5-Phenyl-2,4-pentadiennoyl]-3-thiosemicarbazide](/api/spectrum/Dm0V7iBQHWF/structure.png?h=300&w=458 "1-[5-Phenyl-2,4-pentadiennoyl]-3-thiosemicarbazide")
| SpectraBase Compound ID | H74iqhtNR2 |
|---|---|
| InChI | InChI=1S/C12H13N3OS/c13-12(17)15-14-11(16)9-5-4-8-10-6-2-1-3-7-10/h1-9H,(H,14,16)(H3,13,15,17)/b8-4-,9-5+ |
| InChIKey | KBQUDFFEKSVITJ-MVTUOISNSA-N |
| Mol Weight | 247.32 g/mol |
| Molecular Formula | C12H13N3OS |
| Exact Mass | 247.077933 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dm0V7iBQHWF |
|---|---|
| Name | 1-[5-Phenyl-2,4-pentadiennoyl]-3-thiosemicarbazide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.077933224 u |
| Formula | C12H13N3OS |
| InChI | InChI=1S/C12H13N3OS/c13-12(17)15-14-11(16)9-5-4-8-10-6-2-1-3-7-10/h1-9H,(H,14,16)(H3,13,15,17)/b8-4-,9-5+ |
| InChIKey | KBQUDFFEKSVITJ-MVTUOISNSA-N |
| Molecular Weight | 247.316 g/mol |
| SMILES | C(=S)(N)NNC(=O)\C=C\C=C/C1=CC=CC=C1 |