| SpectraBase Compound ID | IeAtau2UNJ0 |
|---|---|
| InChI | InChI=1S/C20H28Cl2O4/c21-14-5-3-1-2-4-6-15-25-19(23)8-7-9-20(24)26-16-17-10-12-18(22)13-11-17/h10-13H,1-9,14-16H2 |
| InChIKey | XUGNKPYEOIYCCD-UHFFFAOYSA-N |
| Mol Weight | 403.35 g/mol |
| Molecular Formula | C20H28Cl2O4 |
| Exact Mass | 402.136465 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hn22j4SZarc |
|---|---|
| Name | Glutaric acid, 8-chlorooctyl 4-chlorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.136464778 u |
| Formula | C20H28Cl2O4 |
| InChI | InChI=1S/C20H28Cl2O4/c21-14-5-3-1-2-4-6-15-25-19(23)8-7-9-20(24)26-16-17-10-12-18(22)13-11-17/h10-13H,1-9,14-16H2 |
| InChIKey | XUGNKPYEOIYCCD-UHFFFAOYSA-N |
| Molecular Weight | 403.346 g/mol |
| SMILES | C(CCC(OCCCCCCCCCl)=O)C(OCC1=CC=C(C=C1)Cl)=O |