| SpectraBase Compound ID | CfTpUjHnc2M |
|---|---|
| InChI | InChI=1S/C8H12N4.C7H8O3S/c9-8(10)12-11-6-7-4-2-1-3-5-7;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,11H,6H2,(H4,9,10,12);2-5H,1H3,(H,8,9,10) |
| InChIKey | BXZVHZHANDZWKO-UHFFFAOYSA-N |
| Mol Weight | 336.41 g/mol |
| Molecular Formula | C15H20N4O3S |
| Exact Mass | 336.125612 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BGO42MUD3K3 |
|---|---|
| Name | (Benzylamino)guanidine, p-toluenesulfonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.125611691 u |
| Formula | C15H20N4O3S |
| InChI | InChI=1S/C8H12N4.C7H8O3S/c9-8(10)12-11-6-7-4-2-1-3-5-7;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,11H,6H2,(H4,9,10,12);2-5H,1H3,(H,8,9,10) |
| InChIKey | BXZVHZHANDZWKO-UHFFFAOYSA-N |
| Molecular Weight | 336.410 g/mol |
| SMILES | OS(C1=CC=C(C=C1)C)(=O)=O.N(CC1=CC=CC=C1)NC(N)=N |