![Methyl (4R)-4-[1'(S)-4'-methylidenecyclohex-2'-enyl]pentanoate](/api/spectrum/Ck9ENCb6xVi/structure.png?h=300&w=458 "Methyl (4R)-4-[1'(S)-4'-methylidenecyclohex-2'-enyl]pentanoate")
| SpectraBase Compound ID | EZJNUHhXRWI |
|---|---|
| InChI | InChI=1S/C13H20O2/c1-10-4-7-12(8-5-10)11(2)6-9-13(14)15-3/h4,7,11-12H,1,5-6,8-9H2,2-3H3/t11-,12+/m1/s1 |
| InChIKey | LYYUYYLVOSLVPF-NEPJUHHUSA-N |
| Mol Weight | 208.3 g/mol |
| Molecular Formula | C13H20O2 |
| Exact Mass | 208.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ck9ENCb6xVi |
|---|---|
| Name | Methyl (4R)-4-[1'(S)-4'-methylidenecyclohex-2'-enyl]pentanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.146329882 u |
| Formula | C13H20O2 |
| InChI | InChI=1S/C13H20O2/c1-10-4-7-12(8-5-10)11(2)6-9-13(14)15-3/h4,7,11-12H,1,5-6,8-9H2,2-3H3/t11-,12+/m1/s1 |
| InChIKey | LYYUYYLVOSLVPF-NEPJUHHUSA-N |
| Molecular Weight | 208.301 g/mol |
| SMILES | C1=CC(=C)CC[C@]1([C@@](CCC(=O)OC)(C)[H])[H] |