| SpectraBase Compound ID | GYYGZfOYKi5 |
|---|---|
| InChI | InChI=1S/C13H18N2O3/c1-10(2)7-8-18-13(17)15-14-9-11-5-3-4-6-12(11)16/h3-6,9-10,16H,7-8H2,1-2H3,(H,15,17)/b14-9+ |
| InChIKey | WYQKKFGCYROKBQ-NTEUORMPSA-N |
| Mol Weight | 250.3 g/mol |
| Molecular Formula | C13H18N2O3 |
| Exact Mass | 250.131742 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H9GWKRQpSUi |
|---|---|
| Name | 3-Salicylidenecarbazic acid, isopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.131742445 u |
| Formula | C13H18N2O3 |
| InChI | InChI=1S/C13H18N2O3/c1-10(2)7-8-18-13(17)15-14-9-11-5-3-4-6-12(11)16/h3-6,9-10,16H,7-8H2,1-2H3,(H,15,17)/b14-9+ |
| InChIKey | WYQKKFGCYROKBQ-NTEUORMPSA-N |
| Molecular Weight | 250.298 g/mol |
| SMILES | OC1=C(\C=N\NC(OCCC(C)C)=O)C=CC=C1 |