![2-[(1Z)-3-Methyl-1,3-butadienyl]cyclohexanone](/api/spectrum/2eRBe9kYVLg/structure.png?h=300&w=458 "2-[(1Z)-3-Methyl-1,3-butadienyl]cyclohexanone")
| SpectraBase Compound ID | KOtFiAYQYve |
|---|---|
| InChI | InChI=1S/C11H16O/c1-9(2)7-8-10-5-3-4-6-11(10)12/h7-8,10H,1,3-6H2,2H3/b8-7- |
| InChIKey | YDWIDBNNMILWDO-FPLPWBNLSA-N |
| Mol Weight | 164.25 g/mol |
| Molecular Formula | C11H16O |
| Exact Mass | 164.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2eRBe9kYVLg |
|---|---|
| Name | 2-(3-Methylbuta-1,3-dienyl)cyclohexanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.120115134 u |
| Formula | C11H16O |
| InChI | InChI=1S/C11H16O/c1-9(2)7-8-10-5-3-4-6-11(10)12/h7-8,10H,1,3-6H2,2H3/b8-7- |
| InChIKey | YDWIDBNNMILWDO-FPLPWBNLSA-N |
| Molecular Weight | 164.248 g/mol |
| SMILES | C1(=O)C(\C=C/C(=C)C)CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968877 |