| SpectraBase Compound ID | Iapb9vCyT7c |
|---|---|
| InChI | InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h3-4H,5-6H2,1-2H3/b4-3+ |
| InChIKey | RTYRONIMTRDBLT-ONEGZZNKSA-N |
| Mol Weight | 112.17 g/mol |
| Molecular Formula | C7H12O |
| Exact Mass | 112.088815 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HQKrCo9JwZI |
|---|---|
| Name | trans-5-Hepten-2-one |
| CAS Registry Number | 1071-94-9 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C7H12O |
| InChI | InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h3-4H,5-6H2,1-2H3/b4-3+ |
| InChIKey | RTYRONIMTRDBLT-ONEGZZNKSA-N |
| Instrument Name | Bruker WM-250 |
| Literature Reference | D.E. Cane, P.J. Thomas, J. Am. Chem. Soc. 106, 5295 (1984). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |