| SpectraBase Compound ID | 7NDiGF4Tp6A |
|---|---|
| InChI | InChI=1S/C16H11NO2/c18-17(19)16-13-7-6-12-15(16)11-5-4-10-14-8-2-1-3-9-14/h1-3,5-9,11-13H/b11-5+ |
| InChIKey | XWLGDKURGSDVEK-VZUCSPMQSA-N |
| Mol Weight | 249.27 g/mol |
| Molecular Formula | C16H11NO2 |
| Exact Mass | 249.078979 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LOLAO2VW9Tn |
|---|---|
| Name | 1-Nitro-2-[(E)-4-phenylbut-1-en-3-ynyl]benzene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H11NO2 |
| InChI | InChI=1S/C16H11NO2/c18-17(19)16-13-7-6-12-15(16)11-5-4-10-14-8-2-1-3-9-14/h1-3,5-9,11-13H/b11-5+ |
| InChIKey | XWLGDKURGSDVEK-VZUCSPMQSA-N |
| Molecular Weight | 249.269 g/mol |
| SMILES | C(\C=C\c1c(cccc1)N(=O)=O)#Cc1ccccc1 |
| SPLASH | splash10-056r-4940000000-3d6ee56fe7417f925e04 |
| Source of Spectrum | KC-0-2479-12 |
| Wiley ID | 781992 |