| SpectraBase Compound ID | 5bQj1uwfBo0 |
|---|---|
| InChI | InChI=1S/C19H27ClO4/c1-3-5-6-15(4-2)13-23-18(21)11-12-19(22)24-14-16-7-9-17(20)10-8-16/h7-10,15H,3-6,11-14H2,1-2H3 |
| InChIKey | VQEOEJGODKFRSS-UHFFFAOYSA-N |
| Mol Weight | 354.87 g/mol |
| Molecular Formula | C19H27ClO4 |
| Exact Mass | 354.159787 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GsswgtYR3pO |
|---|---|
| Name | Succinic acid, 2-ethylhexyl 4-chlorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.159787045 u |
| Formula | C19H27ClO4 |
| InChI | InChI=1S/C19H27ClO4/c1-3-5-6-15(4-2)13-23-18(21)11-12-19(22)24-14-16-7-9-17(20)10-8-16/h7-10,15H,3-6,11-14H2,1-2H3 |
| InChIKey | VQEOEJGODKFRSS-UHFFFAOYSA-N |
| Molecular Weight | 354.874 g/mol |
| SMILES | C(CC(OCC(CC)CCCC)=O)C(OCC1=CC=C(C=C1)Cl)=O |