| SpectraBase Compound ID | A057qOfSNnb |
|---|---|
| InChI | InChI=1S/C13H18O/c1-3-11(2)13(10-14)9-12-7-5-4-6-8-12/h4-8,10-11,13H,3,9H2,1-2H3 |
| InChIKey | HVPZMMNEGIPGSD-UHFFFAOYSA-N |
| Mol Weight | 190.29 g/mol |
| Molecular Formula | C13H18O |
| Exact Mass | 190.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JSg7DQ3i8xU |
|---|---|
| Name | 2-Benzyl-3-methylpentanal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.135765199 u |
| Formula | C13H18O |
| InChI | InChI=1S/C13H18O/c1-3-11(2)13(10-14)9-12-7-5-4-6-8-12/h4-8,10-11,13H,3,9H2,1-2H3 |
| InChIKey | HVPZMMNEGIPGSD-UHFFFAOYSA-N |
| Molecular Weight | 190.286 g/mol |
| SMILES | C(CC1=CC=CC=C1)(C=O)C(CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955481 |