| SpectraBase Compound ID | CdwOOriaBK1 |
|---|---|
| InChI | InChI=1S/C19H25ClO4/c20-17-11-9-16(10-12-17)14-24-19(22)8-4-7-18(21)23-13-15-5-2-1-3-6-15/h9-12,15H,1-8,13-14H2 |
| InChIKey | IDJGLQVXSWFXBI-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 | 8I1aWniA8Mu |
|---|---|
| Name | Glutaric acid, cyclohexylmethyl 4-chlorobenzyl 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/c20-17-11-9-16(10-12-17)14-24-19(22)8-4-7-18(21)23-13-15-5-2-1-3-6-15/h9-12,15H,1-8,13-14H2 |
| InChIKey | IDJGLQVXSWFXBI-UHFFFAOYSA-N |
| Molecular Weight | 352.858 g/mol |
| SMILES | C(CCC(OCC1CCCCC1)=O)C(OCC1=CC=C(C=C1)Cl)=O |