| SpectraBase Compound ID | 9YA67vHv920 |
|---|---|
| InChI | InChI=1S/C21H16N2O2/c22-16-15-17-9-7-8-14-20(17)25-21(24)23(18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-14H,15H2 |
| InChIKey | GVOUHYHZBIBUGV-UHFFFAOYSA-N |
| Mol Weight | 328.37 g/mol |
| Molecular Formula | C21H16N2O2 |
| Exact Mass | 328.121178 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | sPQfZ1eQoe |
|---|---|
| Name | o-(2-Cyanomethylphenyl)-N,N-diphenyl carbamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.121177761 u |
| Formula | C21H16N2O2 |
| InChI | InChI=1S/C21H16N2O2/c22-16-15-17-9-7-8-14-20(17)25-21(24)23(18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-14H,15H2 |
| InChIKey | GVOUHYHZBIBUGV-UHFFFAOYSA-N |
| Molecular Weight | 328.371 g/mol |
| SMILES | C(N(C=1C=CC=CC1)C1=CC=CC=C1)(OC=1C(CC#N)=CC=CC1)=O |