| SpectraBase Compound ID | 8UTcLYuZJm1 |
|---|---|
| InChI | InChI=1S/C20H29ClO4/c1-3-4-5-6-7-8-14-24-19(22)10-9-11-20(23)25-18-13-12-17(21)15-16(18)2/h12-13,15H,3-11,14H2,1-2H3 |
| InChIKey | ZBXANPSNXLTHEY-UHFFFAOYSA-N |
| Mol Weight | 368.9 g/mol |
| Molecular Formula | C20H29ClO4 |
| Exact Mass | 368.175437 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ItkKw2hCpHV |
|---|---|
| Name | Glutaric acid, 2-methyl-4-chlorophenyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.175437110 u |
| Formula | C20H29ClO4 |
| InChI | InChI=1S/C20H29ClO4/c1-3-4-5-6-7-8-14-24-19(22)10-9-11-20(23)25-18-13-12-17(21)15-16(18)2/h12-13,15H,3-11,14H2,1-2H3 |
| InChIKey | ZBXANPSNXLTHEY-UHFFFAOYSA-N |
| Molecular Weight | 368.901 g/mol |
| SMILES | CCCCCCCCOC(CCCC(OC1=CC=C(C=C1C)Cl)=O)=O |