![(-)-(1'R)-4-( 6',6'-dimethylbicyclo[3.1.1]hept-2'-en-2'-yl)-butan-2-one](/api/spectrum/F9qByN2MEIp/structure.png?h=300&w=458 "(-)-(1'R)-4-( 6',6'-dimethylbicyclo[3.1.1]hept-2'-en-2'-yl)-butan-2-one")
| SpectraBase Compound ID | 7epU4gM7e39 |
|---|---|
| InChI | InChI=1S/C13H20O/c1-9(14)4-5-10-6-7-11-8-12(10)13(11,2)3/h6,11-12H,4-5,7-8H2,1-3H3/t11?,12-/m0/s1 |
| InChIKey | LHWRJGXMTVYJHO-KIYNQFGBSA-N |
| Mol Weight | 192.3 g/mol |
| Molecular Formula | C13H20O |
| Exact Mass | 192.151415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F9qByN2MEIp |
|---|---|
| Name | (-)-(1'R)-4-( 6',6'-dimethylbicyclo[3.1.1]hept-2'-en-2'-yl)-butan-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.151415263 u |
| Formula | C13H20O |
| InChI | InChI=1S/C13H20O/c1-9(14)4-5-10-6-7-11-8-12(10)13(11,2)3/h6,11-12H,4-5,7-8H2,1-3H3/t11?,12-/m0/s1 |
| InChIKey | LHWRJGXMTVYJHO-KIYNQFGBSA-N |
| Molecular Weight | 192.302 g/mol |
| SMILES | [C@]12(C(C)(C)C(C2)CC=C1CCC(=O)C)[H] |