![1-[2,2-bis(4-Methylphenyl)ethyl]-1-chloro-cyclohexane](/api/spectrum/4Xp2qpslmZa/structure.png?h=300&w=458 "1-[2,2-bis(4-Methylphenyl)ethyl]-1-chloro-cyclohexane")
| SpectraBase Compound ID | 4tcmoZm6fa2 |
|---|---|
| InChI | InChI=1S/C22H27Cl/c1-17-6-10-19(11-7-17)21(20-12-8-18(2)9-13-20)16-22(23)14-4-3-5-15-22/h6-13,21H,3-5,14-16H2,1-2H3 |
| InChIKey | DTUKLAKVLPKUKB-UHFFFAOYSA-N |
| Mol Weight | 326.91 g/mol |
| Molecular Formula | C22H27Cl |
| Exact Mass | 326.180129 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Xp2qpslmZa |
|---|---|
| Name | 1-[2,2-bis(4-Methylphenyl)ethyl]-1-chloro-cyclohexane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.180128569 u |
| Formula | C22H27Cl |
| InChI | InChI=1S/C22H27Cl/c1-17-6-10-19(11-7-17)21(20-12-8-18(2)9-13-20)16-22(23)14-4-3-5-15-22/h6-13,21H,3-5,14-16H2,1-2H3 |
| InChIKey | DTUKLAKVLPKUKB-UHFFFAOYSA-N |
| Molecular Weight | 326.911 g/mol |
| SMILES | C(C1=CC=C(C=C1)C)(C=1C=CC(=CC1)C)CC1(Cl)CCCCC1 |