| SpectraBase Compound ID | GeMUDdfkmGE |
|---|---|
| InChI | InChI=1S/C12H18O/c1-9(2)11-4-6-12(7-5-11)10(3)8-13/h4-7,9-10,13H,8H2,1-3H3 |
| InChIKey | DGWSPUSOJBEVIJ-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 | IF9RluieL0x |
|---|---|
| Name | p-Isopropyl-beta-methylphenethyl alcohol |
| 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/c1-9(2)11-4-6-12(7-5-11)10(3)8-13/h4-7,9-10,13H,8H2,1-3H3 |
| InChIKey | DGWSPUSOJBEVIJ-UHFFFAOYSA-N |
| Molecular Weight | 178.275 g/mol |
| SMILES | OCC(C1=CC=C(C=C1)C(C)C)C |
| Spectrum/Structure Validation Score (Raman) | 0.971311 |