| SpectraBase Compound ID | LmuEKyAYwP2 |
|---|---|
| InChI | InChI=1S/C12H13NO/c1-2-3-4-5-8-12(14)11-7-6-9-13-10-11/h6-7,9-10H,2-4H2,1H3 |
| InChIKey | HNTFIDSDTVMDDS-UHFFFAOYSA-N |
| Mol Weight | 187.24 g/mol |
| Molecular Formula | C12H13NO |
| Exact Mass | 187.099714 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 81u7iCVT3B3 |
|---|---|
| Name | 1-(Pyridin-3-yl)hept-2-yn-1-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H13NO |
| InChI | InChI=1S/C12H13NO/c1-2-3-4-5-8-12(14)11-7-6-9-13-10-11/h6-7,9-10H,2-4H2,1H3 |
| InChIKey | HNTFIDSDTVMDDS-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1002/anie.201103296 |
| Molecular Weight | 187.242 g/mol |
| SMILES | c1(cccnc1)C(C#CCCCC)=O |
| SPLASH | splash10-0a6s-3900000000-7b36912dd4269dfd46ec |
| Source of Spectrum | ACI-50-SM23-5b |
| Wiley ID | 1780008 |