| SpectraBase Compound ID | 6tui98P08FX |
|---|---|
| InChI | InChI=1S/C20H29ClO4/c21-15-8-3-1-2-4-9-16-24-19(22)12-13-20(23)25-17-14-18-10-6-5-7-11-18/h5-7,10-11H,1-4,8-9,12-17H2 |
| InChIKey | JOTGGCGKNQGYDU-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 | 2gKHDYZRum4 |
|---|---|
| Name | Succinic acid, 8-chlorooctyl phenethyl 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/c21-15-8-3-1-2-4-9-16-24-19(22)12-13-20(23)25-17-14-18-10-6-5-7-11-18/h5-7,10-11H,1-4,8-9,12-17H2 |
| InChIKey | JOTGGCGKNQGYDU-UHFFFAOYSA-N |
| Molecular Weight | 368.901 g/mol |
| SMILES | C(CC(OCCCCCCCCCl)=O)C(OCCC1=CC=CC=C1)=O |