| SpectraBase Compound ID | JxwDmJGp8FI |
|---|---|
| InChI | InChI=1S/C13H16O/c1-10(2)12-5-4-6-13(9-12)11(3)7-8-14/h4-10H,1-3H3/b11-7+ |
| InChIKey | YNYQVYSKABKILB-YRNVUSSQSA-N |
| Mol Weight | 188.27 g/mol |
| Molecular Formula | C13H16O |
| Exact Mass | 188.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KxXaD85vCxd |
|---|---|
| Name | (E)-3-(3-Isopropylphenyl)but-2-enal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.120115134 u |
| Formula | C13H16O |
| InChI | InChI=1S/C13H16O/c1-10(2)12-5-4-6-13(9-12)11(3)7-8-14/h4-10H,1-3H3/b11-7+ |
| InChIKey | YNYQVYSKABKILB-YRNVUSSQSA-N |
| Molecular Weight | 188.270 g/mol |
| SMILES | C(\C=C/(C)C=1C=C(C=CC1)C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.91201 |