| SpectraBase Compound ID | Hb0bxeAnB2Z |
|---|---|
| InChI | InChI=1S/C12H20O2/c1-4-10(3)14-12(13)11-8-6-5-7-9(11)2/h5-6,9-11H,4,7-8H2,1-3H3 |
| InChIKey | AJKDXAOKNSFWAA-UHFFFAOYSA-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 | FbVsyN6tMH7 |
|---|---|
| Name | Siglure |
| 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/c1-4-10(3)14-12(13)11-8-6-5-7-9(11)2/h5-6,9-11H,4,7-8H2,1-3H3 |
| InChIKey | AJKDXAOKNSFWAA-UHFFFAOYSA-N |
| Molecular Weight | 196.290 g/mol |
| SMILES | C1C(C(CC=C1)C)C(OC(CC)C)=O |