| SpectraBase Compound ID | H3J5xFFVqWd |
|---|---|
| InChI | InChI=1S/C13H17N3O3S/c17-12(8-10-4-2-1-3-5-10)15-14-9-11-6-7-13(20-11)16(18)19/h6-7,9-10H,1-5,8H2,(H,15,17)/b14-9+ |
| InChIKey | NWGSPWLYLNEBNZ-NTEUORMPSA-N |
| Mol Weight | 295.36 g/mol |
| Molecular Formula | C13H17N3O3S |
| Exact Mass | 295.099063 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GI6fo8p0B13 |
|---|---|
| Name | 5-Nitrothiophene-2-carboxaldehyde cyclohexyacethydrazone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.099062590 u |
| Formula | C13H17N3O3S |
| InChI | InChI=1S/C13H17N3O3S/c17-12(8-10-4-2-1-3-5-10)15-14-9-11-6-7-13(20-11)16(18)19/h6-7,9-10H,1-5,8H2,(H,15,17)/b14-9+ |
| InChIKey | NWGSPWLYLNEBNZ-NTEUORMPSA-N |
| SMILES | C(N\N=C\C=1SC(=CC1)N(=O)=O)(CC1CCCCC1)=O |