![(1R,3S)-3-[(Z)-Hex-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid](/api/spectrum/Dt6jM9Fvvwq/structure.png?h=300&w=458 "(1R,3S)-3-[(Z)-Hex-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid")
| SpectraBase Compound ID | 6XDKJdKVQy7 |
|---|---|
| InChI | InChI=1S/C12H20O2/c1-4-5-6-7-8-9-10(11(13)14)12(9,2)3/h7-10H,4-6H2,1-3H3,(H,13,14)/b8-7-/t9-,10-/m0/s1 |
| InChIKey | FTKBUGHMDFXSJW-OWSSEVEYSA-N |
| Mol Weight | 196.29 g/mol |
| Molecular Formula | C12H20O2 |
| Exact Mass | 196.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dt6jM9Fvvwq |
|---|---|
| Name | (1R,3S)-3-[(Z)-hex-1-Enyl]-2,2-dimethylcyclopropane-1-carboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.146329882 u |
| Formula | C12H20O2 |
| InChI | InChI=1S/C12H20O2/c1-4-5-6-7-8-9-10(11(13)14)12(9,2)3/h7-10H,4-6H2,1-3H3,(H,13,14)/b8-7-/t9-,10-/m0/s1 |
| InChIKey | FTKBUGHMDFXSJW-OWSSEVEYSA-N |
| Molecular Weight | 196.290 g/mol |
| SMILES | C1([C@@](\C=C/CCCC)([C@]1(C(=O)O)[H])[H])(C)C |