| SpectraBase Compound ID | 8LARJTNpECW |
|---|---|
| InChI | InChI=1S/C23H44O4/c1-6-8-13-21(7-2)18-27-23(25)15-10-14-22(24)26-17-16-20(5)12-9-11-19(3)4/h19-21H,6-18H2,1-5H3 |
| InChIKey | QLFUXOANKYTXNO-UHFFFAOYSA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C23H44O4 |
| Exact Mass | 384.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6QUCB3SdhqH |
|---|---|
| Name | Glutaric acid, 2-ethylhexyl 3,7-dimethyloctyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.323959893 u |
| Formula | C23H44O4 |
| InChI | InChI=1S/C23H44O4/c1-6-8-13-21(7-2)18-27-23(25)15-10-14-22(24)26-17-16-20(5)12-9-11-19(3)4/h19-21H,6-18H2,1-5H3 |
| InChIKey | QLFUXOANKYTXNO-UHFFFAOYSA-N |
| Molecular Weight | 384.601 g/mol |
| SMILES | C(CCC(OCC(CC)CCCC)=O)C(OCCC(CCCC(C)C)C)=O |