| SpectraBase Compound ID | ETtuia6101z |
|---|---|
| InChI | InChI=1S/C12H12O/c1-11(10-13)6-5-9-12-7-3-2-4-8-12/h2-10H,1H3/b9-5+,11-6- |
| InChIKey | VFBDYWDOVMUDEB-LDABVSGMSA-N |
| Mol Weight | 172.23 g/mol |
| Molecular Formula | C12H12O |
| Exact Mass | 172.088815 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | K5XLExDv3uD |
|---|---|
| Name | 2,4-Pentadienal, 2-methyl-5-phenyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.088815005 u |
| Formula | C12H12O |
| InChI | InChI=1S/C12H12O/c1-11(10-13)6-5-9-12-7-3-2-4-8-12/h2-10H,1H3/b9-5+,11-6- |
| InChIKey | VFBDYWDOVMUDEB-LDABVSGMSA-N |
| Molecular Weight | 172.227 g/mol |
| SMILES | C1(=CC=CC=C1)\C=C\C=C\(C)C=O |
| Spectrum/Structure Validation Score (Raman) | 0.75478 |