![(4E)-4-[(Z)-but-2-enylidene]-3,5,5-trimethyl-1-cyclohex-2-enone](/api/spectrum/EU3I6JnY1Dl/structure.png?h=300&w=458 "(4E)-4-[(Z)-but-2-enylidene]-3,5,5-trimethyl-1-cyclohex-2-enone")
| SpectraBase Compound ID | 51jsXZUoJp8 |
|---|---|
| InChI | InChI=1S/C13H18O/c1-5-6-7-12-10(2)8-11(14)9-13(12,3)4/h5-8H,9H2,1-4H3/b6-5-,12-7- |
| InChIKey | CBQXHTWJSZXYSK-VZVVJSHISA-N |
| Mol Weight | 190.29 g/mol |
| Molecular Formula | C13H18O |
| Exact Mass | 190.135765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EU3I6JnY1Dl |
|---|---|
| Name | (4E)-4-[(Z)-but-2-Enylidene]-3,5,5-trimethyl-1-cyclohex-2-enone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.135765199 u |
| Formula | C13H18O |
| InChI | InChI=1S/C13H18O/c1-5-6-7-12-10(2)8-11(14)9-13(12,3)4/h5-8H,9H2,1-4H3/b6-5-,12-7- |
| InChIKey | CBQXHTWJSZXYSK-VZVVJSHISA-N |
| Molecular Weight | 190.286 g/mol |
| SMILES | C=1(\C(C(CC(C1)=O)(C)C)=C\C=C/C)C |