| SpectraBase Compound ID | B9RnTqKyF1 |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-3-5-6-7-14-22-18(20)12-9-13-19(21)23-17-11-8-10-16(4-2)15-17/h8,10-11,15H,3-7,9,12-14H2,1-2H3 |
| InChIKey | OUYIBVMKLIEJND-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 | AtCVmBIVs3I |
|---|---|
| Name | Glutaric acid, 3-ethylphenyl hexyl 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/c1-3-5-6-7-14-22-18(20)12-9-13-19(21)23-17-11-8-10-16(4-2)15-17/h8,10-11,15H,3-7,9,12-14H2,1-2H3 |
| InChIKey | OUYIBVMKLIEJND-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | CCCCCCOC(CCCC(OC1=CC=CC(=C1)CC)=O)=O |