| SpectraBase Compound ID | EvUvQdDmZMk |
|---|---|
| InChI | InChI=1S/C20H29ClO4/c1-3-14-24-19(22)10-8-6-4-5-7-9-11-20(23)25-18-15-16(2)12-13-17(18)21/h12-13,15H,3-11,14H2,1-2H3 |
| InChIKey | PYZYNQXOUSLVPR-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 | 4R2kVc0OX5n |
|---|---|
| Name | Sebacic acid, 2-chloro-5-methylphenyl propyl 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/c1-3-14-24-19(22)10-8-6-4-5-7-9-11-20(23)25-18-15-16(2)12-13-17(18)21/h12-13,15H,3-11,14H2,1-2H3 |
| InChIKey | PYZYNQXOUSLVPR-UHFFFAOYSA-N |
| Molecular Weight | 368.901 g/mol |
| SMILES | C(CCCC(OC1=CC(C)=CC=C1Cl)=O)CCCCC(OCCC)=O |