| SpectraBase Compound ID | 17j8QlaPyu2 |
|---|---|
| InChI | InChI=1S/C17H22O4/c1-3-20-16(18)14-9-4-5-10-15(14)17(19)21-13-8-6-7-12(2)11-13/h6-8,11,14-15H,3-5,9-10H2,1-2H3 |
| InChIKey | LXJCBYZFMXIAAY-UHFFFAOYSA-N |
| Mol Weight | 290.36 g/mol |
| Molecular Formula | C17H22O4 |
| Exact Mass | 290.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A5H9Sc5v3Cb |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, ethyl 3-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.151809184 u |
| Formula | C17H22O4 |
| InChI | InChI=1S/C17H22O4/c1-3-20-16(18)14-9-4-5-10-15(14)17(19)21-13-8-6-7-12(2)11-13/h6-8,11,14-15H,3-5,9-10H2,1-2H3 |
| InChIKey | LXJCBYZFMXIAAY-UHFFFAOYSA-N |
| SMILES | CC1=CC=CC(=C1)OC(C1CCCCC1C(OCC)=O)=O |