| SpectraBase Compound ID | 9jRLdZMA11W |
|---|---|
| InChI | InChI=1S/C22H40O5/c1-3-5-6-7-8-9-10-13-16-26-21(23)19-14-11-12-15-20(19)22(24)27-18-17-25-4-2/h19-20H,3-18H2,1-2H3 |
| InChIKey | HCXGDTBLFYGQMQ-UHFFFAOYSA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C22H40O5 |
| Exact Mass | 384.287574 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LxAZzmGbVoN |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, decyl 2-ethoxyethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.287574383 u |
| Formula | C22H40O5 |
| InChI | InChI=1S/C22H40O5/c1-3-5-6-7-8-9-10-13-16-26-21(23)19-14-11-12-15-20(19)22(24)27-18-17-25-4-2/h19-20H,3-18H2,1-2H3 |
| InChIKey | HCXGDTBLFYGQMQ-UHFFFAOYSA-N |
| Molecular Weight | 384.557 g/mol |
| SMILES | C(OC(C1CCCCC1C(OCCCCCCCCCC)=O)=O)COCC |