| SpectraBase Compound ID | E0TniFO6TJb |
|---|---|
| InChI | InChI=1S/C16H18O2/c17-13-7-12-16(18,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,17-18H,7,12-13H2 |
| InChIKey | FMSXBGXFTZSEAU-UHFFFAOYSA-N |
| Mol Weight | 242.32 g/mol |
| Molecular Formula | C16H18O2 |
| Exact Mass | 242.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J5fFJUOZYr2 |
|---|---|
| Name | 1,1-Diphenyl-1,4-butandiol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.130679818 u |
| Formula | C16H18O2 |
| InChI | InChI=1S/C16H18O2/c17-13-7-12-16(18,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,17-18H,7,12-13H2 |
| InChIKey | FMSXBGXFTZSEAU-UHFFFAOYSA-N |
| Molecular Weight | 242.318 g/mol |
| SMILES | C(O)(C=1C=CC=CC1)(CCCO)C1=CC=CC=C1 |