| SpectraBase Compound ID | 7YcFESS3M6v |
|---|---|
| InChI | InChI=1S/C12H20O2/c1-4-14-11(13)8-10-6-5-7-12(2,3)9-10/h8H,4-7,9H2,1-3H3/b10-8+ |
| InChIKey | BKHNGPZOPOPDCJ-CSKARUKUSA-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 | 2fSzli1lDV8 |
|---|---|
| Name | (2E)-2-(3,3-Dimethylcyclohexylidene)acetic acid ethyl ester |
| 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/c1-4-14-11(13)8-10-6-5-7-12(2,3)9-10/h8H,4-7,9H2,1-3H3/b10-8+ |
| InChIKey | BKHNGPZOPOPDCJ-CSKARUKUSA-N |
| Molecular Weight | 196.290 g/mol |
| SMILES | C1\C(=C\C(=O)OCC)CCCC1(C)C |