| SpectraBase Compound ID | A6tbAw0bYi6 |
|---|---|
| InChI | InChI=1S/C12H10O2/c13-8-2-6-11-4-1-5-12(10-11)7-3-9-14/h1-10H/b6-2-,7-3+ |
| InChIKey | CXKMMUKVLYUCFS-MFDSWNTHSA-N |
| Mol Weight | 186.21 g/mol |
| Molecular Formula | C12H10O2 |
| Exact Mass | 186.06808 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L2DlGuhHZ7X |
|---|---|
| Name | 1,3-Benzene-bis(propenal) |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.068079560 u |
| Formula | C12H10O2 |
| InChI | InChI=1S/C12H10O2/c13-8-2-6-11-4-1-5-12(10-11)7-3-9-14/h1-10H/b6-2-,7-3+ |
| InChIKey | CXKMMUKVLYUCFS-MFDSWNTHSA-N |
| Molecular Weight | 186.210 g/mol |
| SMILES | C=1(\C=C/C=O)C=C(\C=C\C=O)C=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.858765 |