| SpectraBase Compound ID | IGIdsRDPtqU |
|---|---|
| InChI | InChI=1S/C6H7NO/c1-5(3-4-7)6(2)8/h3H,1-2H3/b5-3+ |
| InChIKey | SSCDTYHBPULRER-HWKANZROSA-N |
| Mol Weight | 109.13 g/mol |
| Molecular Formula | C6H7NO |
| Exact Mass | 109.052764 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BBBmCIEJajQ |
|---|---|
| Name | (E)-3-METHYL-4-OXO-PENT-2-ENE-NITRILE |
| Compound Number | 33 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C6H7NO/c1-5(3-4-7)6(2)8/h3H,1-2H3/b5-3+ |
| InChIKey | SSCDTYHBPULRER-HWKANZROSA-N |
| Literature Reference | S.KOUL,D.H.G.CROUT,W.ERRINGTON,J.TAX J.CHEM.SOC.PERKIN-1,2969(1995) |
| Solvent | Chloroform-d |