| SpectraBase Compound ID | 8C44VbWrxmW |
|---|---|
| InChI | InChI=1S/C16H28O5/c1-4-19-9-10-20-15(17)13-7-5-6-8-14(13)16(18)21-11-12(2)3/h12-14H,4-11H2,1-3H3 |
| InChIKey | ZCLCHKHKPBUUEB-UHFFFAOYSA-N |
| Mol Weight | 300.4 g/mol |
| Molecular Formula | C16H28O5 |
| Exact Mass | 300.193674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KrxyA18Bmcj |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, 2-ethoxyethyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.193673997 u |
| Formula | C16H28O5 |
| InChI | InChI=1S/C16H28O5/c1-4-19-9-10-20-15(17)13-7-5-6-8-14(13)16(18)21-11-12(2)3/h12-14H,4-11H2,1-3H3 |
| InChIKey | ZCLCHKHKPBUUEB-UHFFFAOYSA-N |
| Molecular Weight | 300.395 g/mol |
| SMILES | CCOCCOC(C1CCCCC1C(OCC(C)C)=O)=O |