| SpectraBase Compound ID | LrYHOBnzWNB |
|---|---|
| InChI | InChI=1S/C19H25ClO4/c1-3-5-6-10-16(4-2)23-18(21)12-8-13-19(22)24-17-11-7-9-15(20)14-17/h4,7,9,11,14,16H,2-3,5-6,8,10,12-13H2,1H3 |
| InChIKey | PPPPJTBXQPOUGS-UHFFFAOYSA-N |
| Mol Weight | 352.86 g/mol |
| Molecular Formula | C19H25ClO4 |
| Exact Mass | 352.144137 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GqxqYKckhVy |
|---|---|
| Name | Glutaric acid, oct-1-en-3-yl 3-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.144136981 u |
| Formula | C19H25ClO4 |
| InChI | InChI=1S/C19H25ClO4/c1-3-5-6-10-16(4-2)23-18(21)12-8-13-19(22)24-17-11-7-9-15(20)14-17/h4,7,9,11,14,16H,2-3,5-6,8,10,12-13H2,1H3 |
| InChIKey | PPPPJTBXQPOUGS-UHFFFAOYSA-N |
| Molecular Weight | 352.858 g/mol |
| SMILES | C(CCC(OC1=CC(=CC=C1)Cl)=O)C(OC(C=C)CCCCC)=O |