| SpectraBase Compound ID | 2FGC69MzssH |
|---|---|
| InChI | InChI=1S/C11H20O/c1-10(2)6-8-11(3,4)7-5-9-12/h6,8-10H,5,7H2,1-4H3/b8-6+ |
| InChIKey | MWJLJKCACUIHEK-SOFGYWHQSA-N |
| Mol Weight | 168.28 g/mol |
| Molecular Formula | C11H20O |
| Exact Mass | 168.151415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9uYpNaB6vu0 |
|---|---|
| Name | 4,4,7-Trimethyl-oct-5-enal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.151415263 u |
| Formula | C11H20O |
| InChI | InChI=1S/C11H20O/c1-10(2)6-8-11(3,4)7-5-9-12/h6,8-10H,5,7H2,1-4H3/b8-6+ |
| InChIKey | MWJLJKCACUIHEK-SOFGYWHQSA-N |
| Molecular Weight | 168.280 g/mol |
| SMILES | C(C)(CCC=O)(C)\C=C\C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.983154 |