| SpectraBase Compound ID | IrW3NeYh8sw |
|---|---|
| InChI | InChI=1S/C22H40O4/c1-4-5-6-7-8-9-10-11-14-17-25-21(23)19-15-12-13-16-20(19)22(24)26-18(2)3/h18-20H,4-17H2,1-3H3 |
| InChIKey | AZWKVOVLYPMESL-UHFFFAOYSA-N |
| Mol Weight | 368.6 g/mol |
| Molecular Formula | C22H40O4 |
| Exact Mass | 368.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LRlIqFjU8hc |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, isopropyl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.292659764 u |
| Formula | C22H40O4 |
| InChI | InChI=1S/C22H40O4/c1-4-5-6-7-8-9-10-11-14-17-25-21(23)19-15-12-13-16-20(19)22(24)26-18(2)3/h18-20H,4-17H2,1-3H3 |
| InChIKey | AZWKVOVLYPMESL-UHFFFAOYSA-N |
| Molecular Weight | 368.558 g/mol |
| SMILES | C(C1CCCCC1C(OCCCCCCCCCCC)=O)(=O)OC(C)C |