| SpectraBase Compound ID | LD2O1G8tTe5 |
|---|---|
| InChI | InChI=1S/C17H23ClO4/c1-12(2)10-13(3)21-16(19)8-5-9-17(20)22-15-7-4-6-14(18)11-15/h4,6-7,11-13H,5,8-10H2,1-3H3 |
| InChIKey | UPYPPJMKHFGZFD-UHFFFAOYSA-N |
| Mol Weight | 326.82 g/mol |
| Molecular Formula | C17H23ClO4 |
| Exact Mass | 326.128487 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GCeMYYeU4Dm |
|---|---|
| Name | Glutaric acid, 3-chlorophenyl 4-methylpent-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.128486917 u |
| Formula | C17H23ClO4 |
| InChI | InChI=1S/C17H23ClO4/c1-12(2)10-13(3)21-16(19)8-5-9-17(20)22-15-7-4-6-14(18)11-15/h4,6-7,11-13H,5,8-10H2,1-3H3 |
| InChIKey | UPYPPJMKHFGZFD-UHFFFAOYSA-N |
| Molecular Weight | 326.820 g/mol |
| SMILES | C(CCC(OC(C)CC(C)C)=O)C(OC1=CC=CC(=C1)Cl)=O |