| SpectraBase Compound ID | 54p0K1oZQeY |
|---|---|
| InChI | InChI=1S/C8H8BrN3S/c9-7-3-1-6(2-4-7)5-11-12-8(10)13/h1-5H,(H3,10,12,13)/b11-5+ |
| InChIKey | HMOSVEOPAUPPHT-VZUCSPMQSA-N |
| Mol Weight | 258.14 g/mol |
| Molecular Formula | C8H8BrN3S |
| Exact Mass | 256.962231 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ArbjAwxV54V |
|---|---|
| Name | (E)-1-(4-Bromobenzylidene)thiosemicarbazide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.962231444 u |
| Formula | C8H8BrN3S |
| InChI | InChI=1S/C8H8BrN3S/c9-7-3-1-6(2-4-7)5-11-12-8(10)13/h1-5H,(H3,10,12,13)/b11-5+ |
| InChIKey | HMOSVEOPAUPPHT-VZUCSPMQSA-N |
| SMILES | C(=S)(N\N=C\C1=CC=C(Br)C=C1)N |