![Ethyl 2-[2-(3-hydroxybutyl)phenyl]ethanoate](/api/spectrum/6DEWMftuUVk/structure.png?h=300&w=458 "Ethyl 2-[2-(3-hydroxybutyl)phenyl]ethanoate")
| SpectraBase Compound ID | LRBsjL7bYNs |
|---|---|
| InChI | InChI=1S/C14H20O3/c1-3-17-14(16)10-13-7-5-4-6-12(13)9-8-11(2)15/h4-7,11,15H,3,8-10H2,1-2H3 |
| InChIKey | LMTJLHRDJPUUEK-UHFFFAOYSA-N |
| Mol Weight | 236.31 g/mol |
| Molecular Formula | C14H20O3 |
| Exact Mass | 236.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6DEWMftuUVk |
|---|---|
| Name | Ethyl 2-[2-(3-hydroxybutyl)phenyl]ethanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.141244501 u |
| Formula | C14H20O3 |
| InChI | InChI=1S/C14H20O3/c1-3-17-14(16)10-13-7-5-4-6-12(13)9-8-11(2)15/h4-7,11,15H,3,8-10H2,1-2H3 |
| InChIKey | LMTJLHRDJPUUEK-UHFFFAOYSA-N |
| Molecular Weight | 236.311 g/mol |
| SMILES | C(CC=1C(=CC=CC1)CCC(C)O)(=O)OCC |