| SpectraBase Compound ID | 72B2aAMRK6b |
|---|---|
| InChI | InChI=1S/C11H12O2/c1-3-9(8-12)10-4-6-11(13-2)7-5-10/h3-8H,1-2H3/b9-3- |
| InChIKey | XMIRMEZXRBPGBS-OQFOIZHKSA-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 | D0x9bIsNnJa |
|---|---|
| Name | (E)-2-(4-Methoxyphenyl)but-2-enal |
| 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/c1-3-9(8-12)10-4-6-11(13-2)7-5-10/h3-8H,1-2H3/b9-3- |
| InChIKey | XMIRMEZXRBPGBS-OQFOIZHKSA-N |
| Molecular Weight | 176.215 g/mol |
| SMILES | C=1(\C(=C/C)C=O)C=CC(=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939878 |