| SpectraBase Compound ID | InjTkbFab6f |
|---|---|
| InChI | InChI=1S/C17H18O3/c18-16(8-4-7-13-5-2-1-3-6-13)14-9-11-15(12-10-14)17(19)20/h1-3,5-6,9-12,16,18H,4,7-8H2,(H,19,20) |
| InChIKey | LBTUJOWKAXVMRB-UHFFFAOYSA-N |
| Mol Weight | 270.33 g/mol |
| Molecular Formula | C17H18O3 |
| Exact Mass | 270.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AE8UOKKrRYS |
|---|---|
| Name | 4-(1-Hydroxy-4-phenylbutyl)benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.125594437 u |
| Formula | C17H18O3 |
| InChI | InChI=1S/C17H18O3/c18-16(8-4-7-13-5-2-1-3-6-13)14-9-11-15(12-10-14)17(19)20/h1-3,5-6,9-12,16,18H,4,7-8H2,(H,19,20) |
| InChIKey | LBTUJOWKAXVMRB-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(C=C1)C(O)CCCC1=CC=CC=C1)(=O)O |