| SpectraBase Compound ID | 4t2GykGjha1 |
|---|---|
| InChI | InChI=1S/C12H22O/c1-11(2)7-5-8-12(3,4)9-6-10-13/h5,8,10-11H,6-7,9H2,1-4H3/b8-5+ |
| InChIKey | WXXUEIJTYALJLI-VMPITWQZSA-N |
| Mol Weight | 182.31 g/mol |
| Molecular Formula | C12H22O |
| Exact Mass | 182.167065 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6AAjMKgBMBb |
|---|---|
| Name | 4,4,8-Trimethyl-non-5-enal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.167065327 u |
| Formula | C12H22O |
| InChI | InChI=1S/C12H22O/c1-11(2)7-5-8-12(3,4)9-6-10-13/h5,8,10-11H,6-7,9H2,1-4H3/b8-5+ |
| InChIKey | WXXUEIJTYALJLI-VMPITWQZSA-N |
| Molecular Weight | 182.307 g/mol |
| SMILES | CC(C\C=C\C(CCC=O)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939216 |