![exo-3-(2,5-Dimethylphenyl)-cis-bicyclo[3.3.0]octane](/api/spectrum/CPHQUX515fP/structure.png?h=300&w=458 "exo-3-(2,5-Dimethylphenyl)-cis-bicyclo[3.3.0]octane")
| SpectraBase Compound ID | 9dApjEEKpXJ |
|---|---|
| InChI | InChI=1S/C16H22/c1-11-6-7-12(2)16(8-11)15-9-13-4-3-5-14(13)10-15/h6-8,13-15H,3-5,9-10H2,1-2H3 |
| InChIKey | CGNLPSQEQTYWGC-UHFFFAOYSA-N |
| Mol Weight | 214.35 g/mol |
| Molecular Formula | C16H22 |
| Exact Mass | 214.172151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CPHQUX515fP |
|---|---|
| Name | exo-3-(2,5-Dimethylphenyl)-cis-bicyclo[3.3.0]octane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.172150708 u |
| Formula | C16H22 |
| InChI | InChI=1S/C16H22/c1-11-6-7-12(2)16(8-11)15-9-13-4-3-5-14(13)10-15/h6-8,13-15H,3-5,9-10H2,1-2H3 |
| InChIKey | CGNLPSQEQTYWGC-UHFFFAOYSA-N |
| Molecular Weight | 214.352 g/mol |
| SMILES | C1(C2=C(C=CC(=C2)C)C)CC2CCCC2C1 |