| SpectraBase Compound ID | 4r3s3BarCOg |
|---|---|
| InChI | InChI=1S/C19H27ClO4/c1-3-4-5-6-7-8-13-23-18(21)11-12-19(22)24-17-14-15(2)9-10-16(17)20/h9-10,14H,3-8,11-13H2,1-2H3 |
| InChIKey | WYQLFYKSJDEDOP-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 | 1O3dMpjQzoi |
|---|---|
| Name | Succinic acid, 2-chloro-5-methylphenyl octyl 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/c1-3-4-5-6-7-8-13-23-18(21)11-12-19(22)24-17-14-15(2)9-10-16(17)20/h9-10,14H,3-8,11-13H2,1-2H3 |
| InChIKey | WYQLFYKSJDEDOP-UHFFFAOYSA-N |
| Molecular Weight | 354.874 g/mol |
| SMILES | C(OC=1C(=CC=C(C)C1)Cl)(CCC(OCCCCCCCC)=O)=O |