| SpectraBase Compound ID | 3aWxynS58Ux |
|---|---|
| InChI | InChI=1S/C16H14N2O3/c1-16(11-17,12-6-4-3-5-7-12)13-8-9-14(18(19)20)15(10-13)21-2/h3-10H,1-2H3 |
| InChIKey | DNVNIMHWCFCORH-UHFFFAOYSA-N |
| Mol Weight | 282.3 g/mol |
| Molecular Formula | C16H14N2O3 |
| Exact Mass | 282.100442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2CnwGE2cERW |
|---|---|
| Name | 1-Cyano-1-phenyl-1-(3-methoxy-4-nitrophenyl)ethane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.100442316 u |
| Formula | C16H14N2O3 |
| InChI | InChI=1S/C16H14N2O3/c1-16(11-17,12-6-4-3-5-7-12)13-8-9-14(18(19)20)15(10-13)21-2/h3-10H,1-2H3 |
| InChIKey | DNVNIMHWCFCORH-UHFFFAOYSA-N |
| Molecular Weight | 282.299 g/mol |
| SMILES | C=1(N(=O)=O)C(=CC(C(C#N)(C=2C=CC=CC2)C)=CC1)OC |