| SpectraBase Compound ID | I8oieesW0FQ |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-4-6-10-17(5-2)15-23-19(21)12-8-13-20(22)24-18-11-7-9-16(3)14-18/h7,9,11,14,17H,4-6,8,10,12-13,15H2,1-3H3 |
| InChIKey | PVTHIPQWUMIWPS-UHFFFAOYSA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Vkc0WlyNSe |
|---|---|
| Name | Glutaric acid, 2-ethylhexyl 3-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.214409442 u |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-4-6-10-17(5-2)15-23-19(21)12-8-13-20(22)24-18-11-7-9-16(3)14-18/h7,9,11,14,17H,4-6,8,10,12-13,15H2,1-3H3 |
| InChIKey | PVTHIPQWUMIWPS-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C(CCC(OCC(CC)CCCC)=O)C(OC=1C=CC=C(C)C1)=O |