| SpectraBase Compound ID | 6iRC2MCfeSO |
|---|---|
| InChI | InChI=1S/C12H16O/c1-4-12(2,3)11-7-5-10(9-13)6-8-11/h5-9H,4H2,1-3H3 |
| InChIKey | CFMSVJPRGKKHRS-UHFFFAOYSA-N |
| Mol Weight | 176.26 g/mol |
| Molecular Formula | C12H16O |
| Exact Mass | 176.120115 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5FLQ5G96VAX |
|---|---|
| Name | 4-(1,1-Dimethylpropyl)benzaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.120115134 u |
| Formula | C12H16O |
| InChI | InChI=1S/C12H16O/c1-4-12(2,3)11-7-5-10(9-13)6-8-11/h5-9H,4H2,1-3H3 |
| InChIKey | CFMSVJPRGKKHRS-UHFFFAOYSA-N |
| Molecular Weight | 176.259 g/mol |
| SMILES | C1(=CC=C(C=C1)C(CC)(C)C)C=O |
| Spectrum/Structure Validation Score (Raman) | 0.847307 |