![2-AZABARRELENONE;2-AZABICYCLO-[2.2.2]-OCTA-5,7-DIEN-3-ONE](/api/spectrum/HkK3Vj1mJ8V/structure.png?h=300&w=458 "2-AZABARRELENONE;2-AZABICYCLO-[2.2.2]-OCTA-5,7-DIEN-3-ONE")
| SpectraBase Compound ID | AiwOlYeNKR3 |
|---|---|
| InChI | InChI=1S/C7H7NO/c9-7-5-1-3-6(8-7)4-2-5/h1-6H,(H,8,9)/t5-,6+ |
| InChIKey | LAYSTMYHYGRCNS-OLQVQODUSA-N |
| Mol Weight | 121.14 g/mol |
| Molecular Formula | C7H7NO |
| Exact Mass | 121.052764 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HkK3Vj1mJ8V |
|---|---|
| Name | 2-Aza-barrelenone |
| CAS Registry Number | 53173-29-8 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C7H7NO |
| InChI | InChI=1S/C7H7NO/c9-7-5-1-3-6(8-7)4-2-5/h1-6H,(H,8,9)/t5-,6+ |
| InChIKey | LAYSTMYHYGRCNS-OLQVQODUSA-N |
| Literature Reference | R. Gompper, A. Schmidt, Angew. Chem. 92, 468 (1980). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |