| SpectraBase Compound ID | 2rvY4moum0W |
|---|---|
| InChI | InChI=1S/C19H27ClO4/c1-4-5-6-7-8-15(3)23-18(21)11-12-19(22)24-16-9-10-17(20)14(2)13-16/h9-10,13,15H,4-8,11-12H2,1-3H3 |
| InChIKey | QZBKFQLBSGLWIQ-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 | IfDuuynKBSL |
|---|---|
| Name | Succinic acid, 4-chloro-3-methylphenyl 2-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/c1-4-5-6-7-8-15(3)23-18(21)11-12-19(22)24-16-9-10-17(20)14(2)13-16/h9-10,13,15H,4-8,11-12H2,1-3H3 |
| InChIKey | QZBKFQLBSGLWIQ-UHFFFAOYSA-N |
| Molecular Weight | 354.874 g/mol |
| SMILES | CC1=C(C=CC(=C1)OC(=O)CCC(OC(CCCCCC)C)=O)Cl |