| SpectraBase Compound ID | 5DAor5TTgKG |
|---|---|
| InChI | InChI=1S/C11H13N3O3/c1-7-3-5-8(6-4-7)9(15)13-10(12-2)14-11(16)17/h3-6H,1-2H3,(H,16,17)(H2,12,13,14,15) |
| InChIKey | ZPJUVHLGSCVGKM-UHFFFAOYSA-N |
| Mol Weight | 235.24 g/mol |
| Molecular Formula | C11H13N3O3 |
| Exact Mass | 235.095691 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DNEVRXJXiB8 |
|---|---|
| Name | Guanidine-1-carboxylic acid, 3-methyl-2-(p-toluoyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.095691288 u |
| Formula | C11H13N3O3 |
| InChI | InChI=1S/C11H13N3O3/c1-7-3-5-8(6-4-7)9(15)13-10(12-2)14-11(16)17/h3-6H,1-2H3,(H,16,17)(H2,12,13,14,15) |
| InChIKey | ZPJUVHLGSCVGKM-UHFFFAOYSA-N |
| Molecular Weight | 235.243 g/mol |
| SMILES | CC1=CC=C(C(\N=C\(NC(O)=O)NC)=O)C=C1 |