| SpectraBase Compound ID | IHGqnRAtnAP |
|---|---|
| InChI | InChI=1S/C12H18O/c1-4-10(5-2)11-7-6-9(3)8-12(11)13/h6-8,10,13H,4-5H2,1-3H3 |
| InChIKey | JZGGFCLGFITKDY-UHFFFAOYSA-N |
| Mol Weight | 178.27 g/mol |
| Molecular Formula | C12H18O |
| Exact Mass | 178.135765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6COp8OEQQu3 |
|---|---|
| Name | 2-(1-Ethylpropyl)-5-methylphenol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.135765199 u |
| Formula | C12H18O |
| InChI | InChI=1S/C12H18O/c1-4-10(5-2)11-7-6-9(3)8-12(11)13/h6-8,10,13H,4-5H2,1-3H3 |
| InChIKey | JZGGFCLGFITKDY-UHFFFAOYSA-N |
| Molecular Weight | 178.275 g/mol |
| SMILES | C=1(C(=CC=C(C1)C)C(CC)CC)O |