![1-[3-Pyridyl]-3-amidine urea](/api/spectrum/E17AR0P1cFV/structure.png?h=300&w=458 "1-[3-Pyridyl]-3-amidine urea")
| SpectraBase Compound ID | HIGgE3X1sCO |
|---|---|
| InChI | InChI=1S/C7H9N5O/c8-6(9)12-7(13)11-5-2-1-3-10-4-5/h1-4H,(H5,8,9,11,12,13) |
| InChIKey | PITIHMFWWZNXIU-UHFFFAOYSA-N |
| Mol Weight | 179.18 g/mol |
| Molecular Formula | C7H9N5O |
| Exact Mass | 179.08071 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | E17AR0P1cFV |
|---|---|
| Name | 1-[3-Pyridyl]-3-amidine urea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.080709929 u |
| Formula | C7H9N5O |
| InChI | InChI=1S/C7H9N5O/c8-6(9)12-7(13)11-5-2-1-3-10-4-5/h1-4H,(H5,8,9,11,12,13) |
| InChIKey | PITIHMFWWZNXIU-UHFFFAOYSA-N |
| SMILES | C1=CC=NC=C1NC(=O)NC(N)=N |