| SpectraBase Compound ID | Lxecf4hOGmD |
|---|---|
| InChI | InChI=1S/C10H10N2O/c1-10(2,8-13)5-3-4-9(6-11)7-12/h3-5,8H,1-2H3/b5-3+ |
| InChIKey | CANOXNKBTGZKLS-HWKANZROSA-N |
| Mol Weight | 174.2 g/mol |
| Molecular Formula | C10H10N2O |
| Exact Mass | 174.079313 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JF7gfKupMnB |
|---|---|
| Name | (E)-6,6-Dicyano-2,2-dimethylhexa-3,5-dienal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.079312949 u |
| Formula | C10H10N2O |
| InChI | InChI=1S/C10H10N2O/c1-10(2,8-13)5-3-4-9(6-11)7-12/h3-5,8H,1-2H3/b5-3+ |
| InChIKey | CANOXNKBTGZKLS-HWKANZROSA-N |
| Molecular Weight | 174.203 g/mol |
| SMILES | C(C#N)(C#N)=C\C=C\C(C=O)(C)C |