| SpectraBase Compound ID | DhYz3Qfps34 |
|---|---|
| InChI | InChI=1S/C16H13NO/c1-12-7-9-14(10-8-12)16(18)15(11-17)13-5-3-2-4-6-13/h2-10,15H,1H3 |
| InChIKey | JBAMNRZYBNATRZ-UHFFFAOYSA-N |
| Mol Weight | 235.29 g/mol |
| Molecular Formula | C16H13NO |
| Exact Mass | 235.099714 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IfFtnlBtKYN |
|---|---|
| Name | 3-(4-Methylphenyl)-3-oxidanylidene-2-phenyl-propanenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.099714042 u |
| Formula | C16H13NO |
| InChI | InChI=1S/C16H13NO/c1-12-7-9-14(10-8-12)16(18)15(11-17)13-5-3-2-4-6-13/h2-10,15H,1H3 |
| InChIKey | JBAMNRZYBNATRZ-UHFFFAOYSA-N |
| Molecular Weight | 235.286 g/mol |
| SMILES | C(C(C1=CC=C(C=C1)C)=O)(C#N)C=1C=CC=CC1 |