![3-[4'-Isopropyl-2'-methylphenyl]propanal](/api/spectrum/3Vloh66IGgt/structure.png?h=300&w=458 "3-[4'-Isopropyl-2'-methylphenyl]propanal")
| SpectraBase Compound ID | 27WIgnRArgF |
|---|---|
| InChI | InChI=1S/C13H18O/c1-10(2)13-7-6-12(5-4-8-14)11(3)9-13/h6-10H,4-5H2,1-3H3 |
| InChIKey | NMDUUPWJBWOPKJ-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 | 3Vloh66IGgt |
|---|---|
| Name | 3-[4'-Isopropyl-2'-methylphenyl]propanal |
| 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)13-7-6-12(5-4-8-14)11(3)9-13/h6-10H,4-5H2,1-3H3 |
| InChIKey | NMDUUPWJBWOPKJ-UHFFFAOYSA-N |
| Molecular Weight | 190.286 g/mol |
| SMILES | C=1C(=CC=C(C1C)CCC=O)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953618 |