| SpectraBase Compound ID | J7urfmhz02m |
|---|---|
| InChI | InChI=1S/C13H18O/c1-10(2)13(9-14)11(3)12-7-5-4-6-8-12/h4-11,13H,1-3H3 |
| InChIKey | PVHPOOMLDWRPQN-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 | JVH62pveRZo |
|---|---|
| Name | 2-Isopropyl-3-phenyl-1-butanal |
| 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/c1-10(2)13(9-14)11(3)12-7-5-4-6-8-12/h4-11,13H,1-3H3 |
| InChIKey | PVHPOOMLDWRPQN-UHFFFAOYSA-N |
| Molecular Weight | 190.286 g/mol |
| SMILES | C=1C=CC=C(C(C)C(C(C)C)C=O)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.806079 |