| SpectraBase Compound ID | ChMjiMo7F |
|---|---|
| InChI | InChI=1S/C13H17N7O/c1-8-10(17-13(16)18-12(14)15)11(21)20(19(8)2)9-6-4-3-5-7-9/h3-7H,1-2H3,(H6,14,15,16,17,18) |
| InChIKey | RPMXXZKAIXPAJI-UHFFFAOYSA-N |
| Mol Weight | 287.33 g/mol |
| Molecular Formula | C13H17N7O |
| Exact Mass | 287.149458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KlXDcMdLUU8 |
|---|---|
| Name | 4-Biguanidoantipyrine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.149458194 u |
| Formula | C13H17N7O |
| InChI | InChI=1S/C13H17N7O/c1-8-10(17-13(16)18-12(14)15)11(21)20(19(8)2)9-6-4-3-5-7-9/h3-7H,1-2H3,(H6,14,15,16,17,18) |
| InChIKey | RPMXXZKAIXPAJI-UHFFFAOYSA-N |
| SMILES | C=1(N(N(C(C1NC(=N)NC(N)=N)=O)C=1C=CC=CC1)C)C |