| SpectraBase Compound ID | 2tpti4PLM8W |
|---|---|
| InChI | InChI=1S/C19H32O4/c1-2-13-22-18(20)16-10-6-7-11-17(16)19(21)23-14-12-15-8-4-3-5-9-15/h15-17H,2-14H2,1H3 |
| InChIKey | NIDOISHTNFWTJA-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 | CfU6NHUNyNq |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, 2-cyclohexylethyl propyl 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/c1-2-13-22-18(20)16-10-6-7-11-17(16)19(21)23-14-12-15-8-4-3-5-9-15/h15-17H,2-14H2,1H3 |
| InChIKey | NIDOISHTNFWTJA-UHFFFAOYSA-N |
| Molecular Weight | 324.461 g/mol |
| SMILES | C(OC(C1CCCCC1C(=O)OCCC)=O)CC1CCCCC1 |