| SpectraBase Compound ID | 19spwJCegXV |
|---|---|
| InChI | InChI=1S/2C8H11N3.CH2O3/c2*1-6-2-4-7(5-3-6)11-8(9)10;2-1(3)4/h2*2-5H,1H3,(H4,9,10,11);(H2,2,3,4) |
| InChIKey | KHQWPBMQBMLQRL-UHFFFAOYSA-N |
| Mol Weight | 360.418 g/mol |
| Molecular Formula | C17H24N6O3 |
| Exact Mass | 360.190989 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IlXzahVVSdp |
|---|---|
| Name | p-Tolylgiuanidine, carbonate (2:1) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.190988654 u |
| Formula | C17H24N6O3 |
| InChI | InChI=1S/2C8H11N3.CH2O3/c2*1-6-2-4-7(5-3-6)11-8(9)10;2-1(3)4/h2*2-5H,1H3,(H4,9,10,11);(H2,2,3,4) |
| InChIKey | KHQWPBMQBMLQRL-UHFFFAOYSA-N |
| SMILES | N(C=1C=CC(C)=CC1)C(=N)N.N(C=1C=CC(C)=CC1)C(=N)N.OC(=O)O |