| SpectraBase Compound ID | G9jjpovU5g |
|---|---|
| InChI | InChI=1S/C16H21ClO4/c1-11(2)10-20-15(18)5-4-6-16(19)21-14-8-7-13(17)9-12(14)3/h7-9,11H,4-6,10H2,1-3H3 |
| InChIKey | JBDZGVFTFYVPBA-UHFFFAOYSA-N |
| Mol Weight | 312.79 g/mol |
| Molecular Formula | C16H21ClO4 |
| Exact Mass | 312.112837 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FzR6s0omv41 |
|---|---|
| Name | Glutaric acid, isobutyl 2-methyl-4-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.112836852 u |
| Formula | C16H21ClO4 |
| InChI | InChI=1S/C16H21ClO4/c1-11(2)10-20-15(18)5-4-6-16(19)21-14-8-7-13(17)9-12(14)3/h7-9,11H,4-6,10H2,1-3H3 |
| InChIKey | JBDZGVFTFYVPBA-UHFFFAOYSA-N |
| Molecular Weight | 312.793 g/mol |
| SMILES | CC(C)COC(CCCC(OC1=CC=C(C=C1C)Cl)=O)=O |