| SpectraBase Compound ID | 2htu9h72BT7 |
|---|---|
| InChI | InChI=1S/C18H20O2/c19-18(20)14-8-7-13-17(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14H2,(H,19,20) |
| InChIKey | AWYGRPBJKCVXOE-UHFFFAOYSA-N |
| Mol Weight | 268.36 g/mol |
| Molecular Formula | C18H20O2 |
| Exact Mass | 268.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 49w157UJaLA |
|---|---|
| Name | 6,6-Diphenylhexanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.146329882 u |
| Formula | C18H20O2 |
| InChI | InChI=1S/C18H20O2/c19-18(20)14-8-7-13-17(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14H2,(H,19,20) |
| InChIKey | AWYGRPBJKCVXOE-UHFFFAOYSA-N |
| Molecular Weight | 268.356 g/mol |
| SMILES | OC(CCCCC(C1=CC=CC=C1)C=1C=CC=CC1)=O |