| SpectraBase Compound ID | 5hAAHDtJSMe |
|---|---|
| InChI | InChI=1S/C19H32O4/c1-13(2)12-22-18(20)15-9-5-6-10-16(15)19(21)23-17-11-7-4-8-14(17)3/h13-17H,4-12H2,1-3H3 |
| InChIKey | RYJARZHRNSBYFI-UHFFFAOYSA-N |
| Mol Weight | 324.5 g/mol |
| Molecular Formula | C19H32O4 |
| Exact Mass | 324.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8x32Mvj9mVD |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, isobutyl 2-methylcyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.230059506 u |
| Formula | C19H32O4 |
| InChI | InChI=1S/C19H32O4/c1-13(2)12-22-18(20)15-9-5-6-10-16(15)19(21)23-17-11-7-4-8-14(17)3/h13-17H,4-12H2,1-3H3 |
| InChIKey | RYJARZHRNSBYFI-UHFFFAOYSA-N |
| Molecular Weight | 324.461 g/mol |
| SMILES | CC1CCCCC1OC(C1CCCCC1C(OCC(C)C)=O)=O |