| SpectraBase Compound ID | 21ondaSAGIl |
|---|---|
| InChI | InChI=1S/C10H12O2/c1-8(7-11)6-9-2-4-10(12)5-3-9/h2-5,7-8,12H,6H2,1H3 |
| InChIKey | JNOAQHZAVMFEAN-UHFFFAOYSA-N |
| Mol Weight | 164.2 g/mol |
| Molecular Formula | C10H12O2 |
| Exact Mass | 164.08373 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Lbw6nI4RN6u |
|---|---|
| Name | Benzenepropanal, 4-hydroxy-alpha-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.083729624 u |
| Formula | C10H12O2 |
| InChI | InChI=1S/C10H12O2/c1-8(7-11)6-9-2-4-10(12)5-3-9/h2-5,7-8,12H,6H2,1H3 |
| InChIKey | JNOAQHZAVMFEAN-UHFFFAOYSA-N |
| Molecular Weight | 164.204 g/mol |
| SMILES | OC1=CC=C(C=C1)CC(C=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.983288 |