| SpectraBase Compound ID | BXao7yuhVpm |
|---|---|
| InChI | InChI=1S/C12H20O/c1-9(2)6-7-10(3)12(5)11(4)8-13/h8-9,12H,3-4,6-7H2,1-2,5H3 |
| InChIKey | WMEDICCGNYCVBZ-UHFFFAOYSA-N |
| Mol Weight | 180.29 g/mol |
| Molecular Formula | C12H20O |
| Exact Mass | 180.151415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CfO2HGiGhri |
|---|---|
| Name | 3,7-Dimethyl-2,4-dimethylideneoctanal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.151415263 u |
| Formula | C12H20O |
| InChI | InChI=1S/C12H20O/c1-9(2)6-7-10(3)12(5)11(4)8-13/h8-9,12H,3-4,6-7H2,1-2,5H3 |
| InChIKey | WMEDICCGNYCVBZ-UHFFFAOYSA-N |
| Molecular Weight | 180.291 g/mol |
| SMILES | C(C(C(C(CCC(C)C)=C)C)=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.874777 |