| SpectraBase Compound ID | 1lEWJcjgbbg |
|---|---|
| InChI | InChI=1S/C17H14Cl2O4/c1-11-5-2-3-7-13(11)22-15(20)9-10-16(21)23-14-8-4-6-12(18)17(14)19/h2-8H,9-10H2,1H3 |
| InChIKey | PYLHJTINQVSSFA-UHFFFAOYSA-N |
| Mol Weight | 353.2 g/mol |
| Molecular Formula | C17H14Cl2O4 |
| Exact Mass | 352.026914 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4p4hi6JvmsP |
|---|---|
| Name | Succinic acid, 2-methylphenyl 2,3-dichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.026914327 u |
| Formula | C17H14Cl2O4 |
| InChI | InChI=1S/C17H14Cl2O4/c1-11-5-2-3-7-13(11)22-15(20)9-10-16(21)23-14-8-4-6-12(18)17(14)19/h2-8H,9-10H2,1H3 |
| InChIKey | PYLHJTINQVSSFA-UHFFFAOYSA-N |
| Molecular Weight | 353.201 g/mol |
| SMILES | C1=CC=C(C(=C1Cl)Cl)OC(CCC(OC1=CC=CC=C1C)=O)=O |