| SpectraBase Compound ID | D6WPSJpsR4f |
|---|---|
| InChI | InChI=1S/C21H19ClO/c22-20-13-11-18(12-14-20)16-21(23,19-9-5-2-6-10-19)15-17-7-3-1-4-8-17/h1-14,23H,15-16H2 |
| InChIKey | BKOSNKMHNIROQK-UHFFFAOYSA-N |
| Mol Weight | 322.84 g/mol |
| Molecular Formula | C21H19ClO |
| Exact Mass | 322.112443 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 85XxPDpYwOD |
|---|---|
| Name | Phenethyl alcohol, .alpha.-benzyl-p-chloro-.alpha.-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.112442931 u |
| Formula | C21H19ClO |
| InChI | InChI=1S/C21H19ClO/c22-20-13-11-18(12-14-20)16-21(23,19-9-5-2-6-10-19)15-17-7-3-1-4-8-17/h1-14,23H,15-16H2 |
| InChIKey | BKOSNKMHNIROQK-UHFFFAOYSA-N |
| Molecular Weight | 322.835 g/mol |
| SMILES | C(C(O)(CC1=CC=CC=C1)C1=CC=CC=C1)C1=CC=C(Cl)C=C1 |