| SpectraBase Compound ID | ANNTMGZ2VUN |
|---|---|
| InChI | InChI=1S/C12H18O/c1-2-11(10-13)8-9-12-6-4-3-5-7-12/h3-7,11,13H,2,8-10H2,1H3 |
| InChIKey | ITADCIRSTCHUJG-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 | IdAcqrJR1Bj |
|---|---|
| Name | 2-Ethyl-4-phenyl-1-butanol |
| 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/c1-2-11(10-13)8-9-12-6-4-3-5-7-12/h3-7,11,13H,2,8-10H2,1H3 |
| InChIKey | ITADCIRSTCHUJG-UHFFFAOYSA-N |
| Molecular Weight | 178.275 g/mol |
| SMILES | C(C(CCC=1C=CC=CC1)CC)O |