| SpectraBase Compound ID | ZQVFDzwSwQ |
|---|---|
| InChI | InChI=1S/C12H11NO3/c1-10(14)4-2-3-5-11-6-8-12(9-7-11)13(15)16/h6-9H,2,4H2,1H3 |
| InChIKey | HWLJNPPJTUYISL-UHFFFAOYSA-N |
| Mol Weight | 217.22 g/mol |
| Molecular Formula | C12H11NO3 |
| Exact Mass | 217.073893 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GrtHUBIexWf |
|---|---|
| Name | 6-(4-nitrophenyl)-5-hexyn-2-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H11NO3 |
| InChI | InChI=1S/C12H11NO3/c1-10(14)4-2-3-5-11-6-8-12(9-7-11)13(15)16/h6-9H,2,4H2,1H3 |
| InChIKey | HWLJNPPJTUYISL-UHFFFAOYSA-N |
| Molecular Weight | 217.224 g/mol |
| SMILES | CC(CCC#Cc1ccc(cc1)N(=O)=O)=O |
| SPLASH | splash10-0006-9320000000-43b01768caa9414a0730 |
| Source of Spectrum | F-55-3946-13 |
| Synonyms | 6-(4-nitrophenyl)hex-5-yn-2-one |
| Wiley ID | 837264 |