| SpectraBase Compound ID | 7HAdlldjm9f |
|---|---|
| InChI | InChI=1S/C12H22O/c1-10(7-6-8-13)11(2)9-12(3,4)5/h8,11H,1,6-7,9H2,2-5H3 |
| InChIKey | BNIOQXNILVXDLF-UHFFFAOYSA-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 | 5AoanFP0bBw |
|---|---|
| Name | 5,7,7-Trimethyl-4-methylideneoctanal |
| 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/c1-10(7-6-8-13)11(2)9-12(3,4)5/h8,11H,1,6-7,9H2,2-5H3 |
| InChIKey | BNIOQXNILVXDLF-UHFFFAOYSA-N |
| Molecular Weight | 182.307 g/mol |
| SMILES | C(CCC(C(CC(C)(C)C)C)=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97318 |