| SpectraBase Compound ID | 4qqfrPTKFc7 |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-4-16-9-5-10-17(14-16)23-19(21)12-6-11-18(20)22-13-7-8-15(2)3/h5,9-10,14-15H,4,6-8,11-13H2,1-3H3 |
| InChIKey | NKWXKBNXEMSKIE-UHFFFAOYSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9MtH65GUEvv |
|---|---|
| Name | Glutaric acid, 3-ethylphenyl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.198759378 u |
| Formula | C19H28O4 |
| InChI | InChI=1S/C19H28O4/c1-4-16-9-5-10-17(14-16)23-19(21)12-6-11-18(20)22-13-7-8-15(2)3/h5,9-10,14-15H,4,6-8,11-13H2,1-3H3 |
| InChIKey | NKWXKBNXEMSKIE-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | CC(C)CCCOC(CCCC(OC1=CC=CC(=C1)CC)=O)=O |