| SpectraBase Compound ID | lpAsYMque8 |
|---|---|
| InChI | InChI=1S/C14H20O/c1-11(2)5-4-6-13-7-8-14(10-15)12(3)9-13/h7-11H,4-6H2,1-3H3 |
| InChIKey | JVAOZEPFNAMSLQ-UHFFFAOYSA-N |
| Mol Weight | 204.31 g/mol |
| Molecular Formula | C14H20O |
| Exact Mass | 204.151415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JosGE2XkOKW |
|---|---|
| Name | 2-Methyl-4-isohexylbenzaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.151415263 u |
| Formula | C14H20O |
| InChI | InChI=1S/C14H20O/c1-11(2)5-4-6-13-7-8-14(10-15)12(3)9-13/h7-11H,4-6H2,1-3H3 |
| InChIKey | JVAOZEPFNAMSLQ-UHFFFAOYSA-N |
| Molecular Weight | 204.313 g/mol |
| SMILES | C(C=1C(=CC(=CC1)CCCC(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959942 |