![1-[2-(4-Methoxyphenyl)ethynyl]-2-nitro-benzene](/api/spectrum/JGw18CnwZ4y/structure.png?h=300&w=458 "1-[2-(4-Methoxyphenyl)ethynyl]-2-nitro-benzene")
| SpectraBase Compound ID | 6SntlS3CaSk |
|---|---|
| InChI | InChI=1S/C15H11NO3/c1-19-14-10-7-12(8-11-14)6-9-13-4-2-3-5-15(13)16(17)18/h2-5,7-8,10-11H,1H3 |
| InChIKey | DPPYFUJFBOIFPW-UHFFFAOYSA-N |
| Mol Weight | 253.26 g/mol |
| Molecular Formula | C15H11NO3 |
| Exact Mass | 253.073893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JGw18CnwZ4y |
|---|---|
| Name | 1-[2-(4-Methoxyphenyl)ethynyl]-2-nitro-benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.073893215 u |
| Formula | C15H11NO3 |
| InChI | InChI=1S/C15H11NO3/c1-19-14-10-7-12(8-11-14)6-9-13-4-2-3-5-15(13)16(17)18/h2-5,7-8,10-11H,1H3 |
| InChIKey | DPPYFUJFBOIFPW-UHFFFAOYSA-N |
| Molecular Weight | 253.257 g/mol |
| SMILES | C=1(N(=O)=O)C(C#CC2=CC=C(C=C2)OC)=CC=CC1 |