| SpectraBase Compound ID | DPPNRIjWksn |
|---|---|
| InChI | InChI=1S/C18H25ClO4/c1-5-15(12(2)3)22-17(20)7-6-8-18(21)23-16-10-9-14(19)11-13(16)4/h9-12,15H,5-8H2,1-4H3 |
| InChIKey | GBGWRADDMHICKG-UHFFFAOYSA-N |
| Mol Weight | 340.85 g/mol |
| Molecular Formula | C18H25ClO4 |
| Exact Mass | 340.144137 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KguTbqC6ZNK |
|---|---|
| Name | Glutaric acid, 2-methylpent-3-yl 2-methyl-4-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.144136981 u |
| Formula | C18H25ClO4 |
| InChI | InChI=1S/C18H25ClO4/c1-5-15(12(2)3)22-17(20)7-6-8-18(21)23-16-10-9-14(19)11-13(16)4/h9-12,15H,5-8H2,1-4H3 |
| InChIKey | GBGWRADDMHICKG-UHFFFAOYSA-N |
| Molecular Weight | 340.847 g/mol |
| SMILES | C(CCC(OC(CC)C(C)C)=O)C(OC1=CC=C(C=C1C)Cl)=O |