| SpectraBase Compound ID | FsebkxQyjLU |
|---|---|
| InChI | InChI=1S/C12H18O/c1-12(2,3)9-8-10-6-4-5-7-11(10)13/h4-7,13H,8-9H2,1-3H3 |
| InChIKey | PBUUGLMVDDUJLU-UHFFFAOYSA-N |
| Mol Weight | 178.27 g/mol |
| Molecular Formula | C12H18O |
| Exact Mass | 178.135765 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BEclIDfzcR8 |
|---|---|
| Name | o-(3,3-Dimethylbutyl)phenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.135765199 u |
| Formula | C12H18O |
| InChI | InChI=1S/C12H18O/c1-12(2,3)9-8-10-6-4-5-7-11(10)13/h4-7,13H,8-9H2,1-3H3 |
| InChIKey | PBUUGLMVDDUJLU-UHFFFAOYSA-N |
| Molecular Weight | 178.275 g/mol |
| SMILES | OC=1C(=CC=CC1)CCC(C)(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.872388 |