| SpectraBase Compound ID | F7qdrlvzoUI |
|---|---|
| InChI | InChI=1S/C10H12O/c1-9(7-8-11)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3 |
| InChIKey | MYHGOWDLVRDUFA-UHFFFAOYSA-N |
| Mol Weight | 148.2 g/mol |
| Molecular Formula | C10H12O |
| Exact Mass | 148.088815 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6ygYMXueExi |
|---|---|
| Name | 3-Phenylbutyraldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 148.088815005 u |
| Formula | C10H12O |
| InChI | InChI=1S/C10H12O/c1-9(7-8-11)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3 |
| InChIKey | MYHGOWDLVRDUFA-UHFFFAOYSA-N |
| Molecular Weight | 148.205 g/mol |
| SMILES | C(=O)CC(C=1C=CC=CC1)C |
| Spectrum/Structure Validation Score (Raman) | 0.992726 |