| SpectraBase Compound ID | Cs4BMB3vYdp |
|---|---|
| InChI | InChI=1S/C15H18Cl2O4/c1-10(2)9-20-14(18)4-3-5-15(19)21-13-8-11(16)6-7-12(13)17/h6-8,10H,3-5,9H2,1-2H3 |
| InChIKey | QOUGGHITRGZENW-UHFFFAOYSA-N |
| Mol Weight | 333.21 g/mol |
| Molecular Formula | C15H18Cl2O4 |
| Exact Mass | 332.058214 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 76MJgkr0DUp |
|---|---|
| Name | Glutaric acid, 2,5-dichlorophenyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.058214456 u |
| Formula | C15H18Cl2O4 |
| InChI | InChI=1S/C15H18Cl2O4/c1-10(2)9-20-14(18)4-3-5-15(19)21-13-8-11(16)6-7-12(13)17/h6-8,10H,3-5,9H2,1-2H3 |
| InChIKey | QOUGGHITRGZENW-UHFFFAOYSA-N |
| Molecular Weight | 333.211 g/mol |
| SMILES | CC(C)COC(CCCC(OC1=CC(=CC=C1Cl)Cl)=O)=O |