| SpectraBase Compound ID | EfGI6qqxiPz |
|---|---|
| InChI | InChI=1S/C11H13N3O/c1-9(2)14-11(13-8-12)15-10-6-4-3-5-7-10/h3-7,9H,1-2H3,(H,13,14) |
| InChIKey | PQBIWXINXFGJLH-UHFFFAOYSA-N |
| Mol Weight | 203.24 g/mol |
| Molecular Formula | C11H13N3O |
| Exact Mass | 203.105862 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FqXE8gEU2Ve |
|---|---|
| Name | 1-Cyano-3-isopropyl-2-phenylpseudourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.105862050 u |
| Formula | C11H13N3O |
| InChI | InChI=1S/C11H13N3O/c1-9(2)14-11(13-8-12)15-10-6-4-3-5-7-10/h3-7,9H,1-2H3,(H,13,14) |
| InChIKey | PQBIWXINXFGJLH-UHFFFAOYSA-N |
| Molecular Weight | 203.245 g/mol |
| SMILES | N(C(C)C)\C(=N\C#N)OC=1C=CC=CC1 |