| SpectraBase Compound ID | Lj25HjDY6nv |
|---|---|
| InChI | InChI=1S/C19H27ClO4/c1-2-3-4-5-6-7-14-23-18(21)12-9-13-19(22)24-17-11-8-10-16(20)15-17/h8,10-11,15H,2-7,9,12-14H2,1H3 |
| InChIKey | QPXFFYLQUZCRSP-UHFFFAOYSA-N |
| Mol Weight | 354.87 g/mol |
| Molecular Formula | C19H27ClO4 |
| Exact Mass | 354.159787 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3xOEViYtRrF |
|---|---|
| Name | Glutaric acid, 3-chlorophenyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.159787045 u |
| Formula | C19H27ClO4 |
| InChI | InChI=1S/C19H27ClO4/c1-2-3-4-5-6-7-14-23-18(21)12-9-13-19(22)24-17-11-8-10-16(20)15-17/h8,10-11,15H,2-7,9,12-14H2,1H3 |
| InChIKey | QPXFFYLQUZCRSP-UHFFFAOYSA-N |
| Molecular Weight | 354.874 g/mol |
| SMILES | CCCCCCCCOC(CCCC(OC1=CC=CC(=C1)Cl)=O)=O |