| SpectraBase Compound ID | ATXRaSjPnRK |
|---|---|
| InChI | InChI=1S/C21H18O2/c1-16(22)23-21(19-10-6-3-7-11-19)20-14-12-18(13-15-20)17-8-4-2-5-9-17/h2-15,21H,1H3 |
| InChIKey | AWUXXZTZPDYIMG-UHFFFAOYSA-N |
| Mol Weight | 302.37 g/mol |
| Molecular Formula | C21H18O2 |
| Exact Mass | 302.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | pZ5jJJceKX |
|---|---|
| Name | 1,1'-Biphenyl-4-methanol, .alpha.-phenyl-, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.130679818 u |
| Formula | C21H18O2 |
| InChI | InChI=1S/C21H18O2/c1-16(22)23-21(19-10-6-3-7-11-19)20-14-12-18(13-15-20)17-8-4-2-5-9-17/h2-15,21H,1H3 |
| InChIKey | AWUXXZTZPDYIMG-UHFFFAOYSA-N |
| SMILES | C1=CC(C2=CC=C(C(C3=CC=CC=C3)OC(C)=O)C=C2)=CC=C1 |