| SpectraBase Compound ID | IetW86icV9H |
|---|---|
| InChI | InChI=1S/C12H17N3O3/c1-4-9(2)14(3)13-8-10-7-11(15(17)18)5-6-12(10)16/h5-9,16H,4H2,1-3H3/b13-8+ |
| InChIKey | RMKDCYDKIUGIAV-MDWZMJQESA-N |
| Mol Weight | 251.29 g/mol |
| Molecular Formula | C12H17N3O3 |
| Exact Mass | 251.126991 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HIiAf7PBMq8 |
|---|---|
| Name | 5-Nitrosalicylaldehyde, sec-butylmethylhydrazone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.126991416 u |
| Formula | C12H17N3O3 |
| InChI | InChI=1S/C12H17N3O3/c1-4-9(2)14(3)13-8-10-7-11(15(17)18)5-6-12(10)16/h5-9,16H,4H2,1-3H3/b13-8+ |
| InChIKey | RMKDCYDKIUGIAV-MDWZMJQESA-N |
| Molecular Weight | 251.286 g/mol |
| SMILES | OC1=CC=C(C=C1\C=N\N(C(CC)C)C)N(=O)=O |