| SpectraBase Compound ID | 31Oh5hchQ4s |
|---|---|
| InChI | InChI=1S/C11H12O2/c1-9-3-5-10(6-4-9)11(13-2)7-8-12/h3-8H,1-2H3/b11-7+ |
| InChIKey | PLSSVVYCBROJNE-YRNVUSSQSA-N |
| Mol Weight | 176.21 g/mol |
| Molecular Formula | C11H12O2 |
| Exact Mass | 176.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6WTZbV1lgaK |
|---|---|
| Name | (E)-3-Methoxy-3-(4'-methylphenyl)-2-propenal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.083729624 u |
| Formula | C11H12O2 |
| InChI | InChI=1S/C11H12O2/c1-9-3-5-10(6-4-9)11(13-2)7-8-12/h3-8H,1-2H3/b11-7+ |
| InChIKey | PLSSVVYCBROJNE-YRNVUSSQSA-N |
| Molecular Weight | 176.215 g/mol |
| SMILES | C(\C=C/(C=1C=CC(=CC1)C)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951512 |