![1-Methyl-4-[2-(4-nitrophenyl)ethynyl]benzene](/api/spectrum/5vjz21qex6j/structure.png?h=300&w=458 "1-Methyl-4-[2-(4-nitrophenyl)ethynyl]benzene")
| SpectraBase Compound ID | 6hYPeUunlya |
|---|---|
| InChI | InChI=1S/C15H11NO2/c1-12-2-4-13(5-3-12)6-7-14-8-10-15(11-9-14)16(17)18/h2-5,8-11H,1H3 |
| InChIKey | XYPVBFOEVQVAEA-UHFFFAOYSA-N |
| Mol Weight | 237.26 g/mol |
| Molecular Formula | C15H11NO2 |
| Exact Mass | 237.078979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5vjz21qex6j |
|---|---|
| Name | 1-Methyl-4-[2-(4-nitrophenyl)ethynyl]benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.078978596 u |
| Formula | C15H11NO2 |
| InChI | InChI=1S/C15H11NO2/c1-12-2-4-13(5-3-12)6-7-14-8-10-15(11-9-14)16(17)18/h2-5,8-11H,1H3 |
| InChIKey | XYPVBFOEVQVAEA-UHFFFAOYSA-N |
| Molecular Weight | 237.258 g/mol |
| SMILES | C1(N(=O)=O)=CC=C(C#CC2=CC=C(C=C2)C)C=C1 |