![(1S,5R)-3-(Mesityl)-cis-bicyclo[3.3.0]octane](/api/spectrum/9K2wP4qJu6Q/structure.png?h=300&w=458 "(1S,5R)-3-(Mesityl)-cis-bicyclo[3.3.0]octane")
| SpectraBase Compound ID | 1QGpdttLIeO |
|---|---|
| InChI | InChI=1S/C17H24/c1-11-7-12(2)17(13(3)8-11)16-9-14-5-4-6-15(14)10-16/h7-8,14-16H,4-6,9-10H2,1-3H3/t14-,15+,16? |
| InChIKey | RIZXCZJZNJDOIZ-XYPWUTKMSA-N |
| Mol Weight | 228.38 g/mol |
| Molecular Formula | C17H24 |
| Exact Mass | 228.187801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9K2wP4qJu6Q |
|---|---|
| Name | (1S,5R)-3-(Mesityl)-cis-bicyclo[3.3.0]octane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.187800773 u |
| Formula | C17H24 |
| InChI | InChI=1S/C17H24/c1-11-7-12(2)17(13(3)8-11)16-9-14-5-4-6-15(14)10-16/h7-8,14-16H,4-6,9-10H2,1-3H3/t14-,15+,16? |
| InChIKey | RIZXCZJZNJDOIZ-XYPWUTKMSA-N |
| Molecular Weight | 228.379 g/mol |
| SMILES | C1(C=2C(=CC(=CC2C)C)C)C[C@]2(CCC[C@]2(C1)[H])[H] |