| SpectraBase Compound ID | GKpD8QL5ZlZ |
|---|---|
| InChI | InChI=1S/C18H25ClO4/c1-5-15(12(2)3)22-17(20)7-6-8-18(21)23-16-11-13(4)9-10-14(16)19/h9-12,15H,5-8H2,1-4H3 |
| InChIKey | VRTYYEYGHCFEBY-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 | C6FEKYUnWFw |
|---|---|
| Name | Glutaric acid, 2-methylpent-3-yl 2-chloro-5-methylphenyl 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)23-16-11-13(4)9-10-14(16)19/h9-12,15H,5-8H2,1-4H3 |
| InChIKey | VRTYYEYGHCFEBY-UHFFFAOYSA-N |
| Molecular Weight | 340.847 g/mol |
| SMILES | C(CCC(OC(C(C)C)CC)=O)C(OC1=CC(C)=CC=C1Cl)=O |