| SpectraBase Compound ID | 1umUxaSZuW7 |
|---|---|
| InChI | InChI=1S/C16H22O3/c1-12(2)18-14-10-6-7-11-15(14)19-16(17)13-8-4-3-5-9-13/h6-7,10-13H,3-5,8-9H2,1-2H3 |
| InChIKey | KBXZARBDQUVPMU-UHFFFAOYSA-N |
| Mol Weight | 262.35 g/mol |
| Molecular Formula | C16H22O3 |
| Exact Mass | 262.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9llw6SF5afY |
|---|---|
| Name | Cyclohexanecarboxylic acid, 2-isopropoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.156894565 u |
| Formula | C16H22O3 |
| InChI | InChI=1S/C16H22O3/c1-12(2)18-14-10-6-7-11-15(14)19-16(17)13-8-4-3-5-9-13/h6-7,10-13H,3-5,8-9H2,1-2H3 |
| InChIKey | KBXZARBDQUVPMU-UHFFFAOYSA-N |
| Molecular Weight | 262.349 g/mol |
| SMILES | C1CCCC(C1)C(OC1=C(C=CC=C1)OC(C)C)=O |