| SpectraBase Compound ID | GDOFC0d9Psz |
|---|---|
| InChI | InChI=1S/C22H22/c1-3-8-19(9-4-1)14-16-21-12-7-13-22(18-21)17-15-20-10-5-2-6-11-20/h1-13,18H,14-17H2 |
| InChIKey | VRQMVGOYGOIVDT-UHFFFAOYSA-N |
| Mol Weight | 286.42 g/mol |
| Molecular Formula | C22H22 |
| Exact Mass | 286.172151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 872887DPjhM |
|---|---|
| Name | 1,3-bis(2-Phenylethyl)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.172150708 u |
| Formula | C22H22 |
| InChI | InChI=1S/C22H22/c1-3-8-19(9-4-1)14-16-21-12-7-13-22(18-21)17-15-20-10-5-2-6-11-20/h1-13,18H,14-17H2 |
| InChIKey | VRQMVGOYGOIVDT-UHFFFAOYSA-N |
| Molecular Weight | 286.418 g/mol |
| SMILES | C=1C(CCC2=CC=CC=C2)=CC=CC1CCC=1C=CC=CC1 |