| SpectraBase Compound ID | DWxbQE834F5 |
|---|---|
| InChI | InChI=1S/C19H27ClO4/c1-3-4-5-6-9-15(2)23-18(21)12-8-13-19(22)24-17-11-7-10-16(20)14-17/h7,10-11,14-15H,3-6,8-9,12-13H2,1-2H3 |
| InChIKey | ATLGMSOQTFFISS-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 | 7wcXi4sBlu3 |
|---|---|
| Name | Glutaric acid, 3-chlorophenyl 2-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/c1-3-4-5-6-9-15(2)23-18(21)12-8-13-19(22)24-17-11-7-10-16(20)14-17/h7,10-11,14-15H,3-6,8-9,12-13H2,1-2H3 |
| InChIKey | ATLGMSOQTFFISS-UHFFFAOYSA-N |
| Molecular Weight | 354.874 g/mol |
| SMILES | C(CCC(OC1=CC(=CC=C1)Cl)=O)C(OC(CCCCCC)C)=O |