| SpectraBase Compound ID | 2zsR7IZja1L |
|---|---|
| InChI | InChI=1S/C18H24O4/c1-4-21-17(19)15-7-5-6-8-16(15)18(20)22-14-10-9-12(2)13(3)11-14/h9-11,15-16H,4-8H2,1-3H3 |
| InChIKey | FBTKJLNMGLHLFN-UHFFFAOYSA-N |
| Mol Weight | 304.39 g/mol |
| Molecular Formula | C18H24O4 |
| Exact Mass | 304.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B5Kk9XcPC1f |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, ethyl 3,4-dimethylphenyl diester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.167459249 u |
| Formula | C18H24O4 |
| InChI | InChI=1S/C18H24O4/c1-4-21-17(19)15-7-5-6-8-16(15)18(20)22-14-10-9-12(2)13(3)11-14/h9-11,15-16H,4-8H2,1-3H3 |
| InChIKey | FBTKJLNMGLHLFN-UHFFFAOYSA-N |
| SMILES | C1(CCCCC1C(=O)OC=1C=CC(=C(C)C1)C)C(OCC)=O |