| SpectraBase Compound ID | GDuR9qf49fp |
|---|---|
| InChI | InChI=1S/2C10H17N3O2/c2*1-3-4-5-6-7-13-10(14)9(12-15)8(2)11-13/h2*14H,3-7H2,1-2H3 |
| InChIKey | QBNILIUSAILJSZ-UHFFFAOYSA-N |
| Mol Weight | 422.53 g/mol |
| Molecular Formula | C20H34N6O4 |
| Exact Mass | 422.264154 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ASNrrUA2f5s |
|---|---|
| Name | 1-N-Hexyl-3-methyl-4-nitroso-5-pyrazolone;oh-tautomer |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 422.264153595 u |
| Formula | C20H34N6O4 |
| InChI | InChI=1S/2C10H17N3O2/c2*1-3-4-5-6-7-13-10(14)9(12-15)8(2)11-13/h2*14H,3-7H2,1-2H3 |
| InChIKey | QBNILIUSAILJSZ-UHFFFAOYSA-N |
| Molecular Weight | 422.530 g/mol |
| SMILES | C1(=NN(C(=C1N=O)O)CCCCCC)C.C1(=NN(C(=C1N=O)O)CCCCCC)C |