| SpectraBase Compound ID | JAhYYv1qjb2 |
|---|---|
| InChI | InChI=1S/C16H14N2O2/c17-12-11-16(13-18(19)20,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H,11,13H2 |
| InChIKey | MMJRENFSBVLISC-UHFFFAOYSA-N |
| Mol Weight | 266.3 g/mol |
| Molecular Formula | C16H14N2O2 |
| Exact Mass | 266.105528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1rKCwyH3eI5 |
|---|---|
| Name | 2,2-Diphenyl-3-nitro-1-cyanopropane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.105527697 u |
| Formula | C16H14N2O2 |
| InChI | InChI=1S/C16H14N2O2/c17-12-11-16(13-18(19)20,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H,11,13H2 |
| InChIKey | MMJRENFSBVLISC-UHFFFAOYSA-N |
| Molecular Weight | 266.300 g/mol |
| SMILES | C(N(=O)=O)C(C1=CC=CC=C1)(C=1C=CC=CC1)CC#N |