| SpectraBase Compound ID | CwT6uj5mx9U |
|---|---|
| InChI | InChI=1S/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5-6,8,11-12H,3,7H2,1-2,4H3/t11-,12+/m1/s1 |
| InChIKey | FOSCFYGDBSMRFI-NEPJUHHUSA-N |
| Mol Weight | 194.27 g/mol |
| Molecular Formula | C12H18O2 |
| Exact Mass | 194.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1GwTC09GiSA |
|---|---|
| Name | 3-Cyclohexen-1-ol, 2-methylene-5-(1-methylethyl)-, acetate, (1S-trans)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.130679818 u |
| Formula | C12H18O2 |
| InChI | InChI=1S/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5-6,8,11-12H,3,7H2,1-2,4H3/t11-,12+/m1/s1 |
| InChIKey | FOSCFYGDBSMRFI-NEPJUHHUSA-N |
| Molecular Weight | 194.274 g/mol |
| SMILES | C1([C@@](OC(=O)C)(C[C@@](C=C1)(C(C)C)[H])[H])=C |