| SpectraBase Compound ID | 8od8ibr3DQt |
|---|---|
| InChI | InChI=1S/C7H7NO/c1-2-3-4-5-7(9)6-8/h2-5H,1H3/b3-2+,5-4+ |
| InChIKey | ZZAOVMBTMFJELS-MQQKCMAXSA-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 | Iy6mnlPYPdU |
|---|---|
| Name | (3E,5E)-2-ketohepta-3,5-dienenitrile |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C7H7NO |
| InChI | InChI=1S/C7H7NO/c1-2-3-4-5-7(9)6-8/h2-5H,1H3/b3-2+,5-4+ |
| InChIKey | ZZAOVMBTMFJELS-MQQKCMAXSA-N |
| Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
| Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2006) |
| Molecular Weight | 121.139 g/mol |
| Source File Reference | MHKO3155 |