| SpectraBase Compound ID | FSMWfjj8tqT |
|---|---|
| InChI | InChI=1S/C10H18O2/c1-3-10(9(11)12-2)7-5-4-6-8-10/h3-8H2,1-2H3 |
| InChIKey | JPAPFFYGFBXJAK-UHFFFAOYSA-N |
| Mol Weight | 170.25 g/mol |
| Molecular Formula | C10H18O2 |
| Exact Mass | 170.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6JBR977BmPC |
|---|---|
| Name | Cyclohexanecarboxylic acid, 1-ethyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.130679818 u |
| Formula | C10H18O2 |
| InChI | InChI=1S/C10H18O2/c1-3-10(9(11)12-2)7-5-4-6-8-10/h3-8H2,1-2H3 |
| InChIKey | JPAPFFYGFBXJAK-UHFFFAOYSA-N |
| Molecular Weight | 170.252 g/mol |
| SMILES | C(OC)(=O)C1(CC)CCCCC1 |