| SpectraBase Compound ID | 4iXf3SGT4jP |
|---|---|
| InChI | InChI=1S/C10H11N3O/c1-2-3-6-12-13-10(14)9-4-7-11-8-5-9/h2-8H,1H3,(H,13,14)/b3-2+,12-6- |
| InChIKey | YLWYNCPRXFCNLQ-OBBGFGQDSA-N |
| Mol Weight | 189.22 g/mol |
| Molecular Formula | C10H11N3O |
| Exact Mass | 189.090212 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JHcHRmpSIGj |
|---|---|
| Name | Crotoniazide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.090211985 u |
| Formula | C10H11N3O |
| InChI | InChI=1S/C10H11N3O/c1-2-3-6-12-13-10(14)9-4-7-11-8-5-9/h2-8H,1H3,(H,13,14)/b3-2+,12-6- |
| InChIKey | YLWYNCPRXFCNLQ-OBBGFGQDSA-N |
| Molecular Weight | 189.218 g/mol |
| SMILES | C1=CC(C(N\N=C/C=C/C)=O)=CC=N1 |