| SpectraBase Compound ID | EqQTaFkfhTp |
|---|---|
| InChI | InChI=1S/C17H20ClNO4/c18-11-3-1-2-4-12-22-16(20)9-10-17(21)23-15-7-5-14(13-19)6-8-15/h5-8H,1-4,9-12H2 |
| InChIKey | YOKNTAJUAZKDJU-UHFFFAOYSA-N |
| Mol Weight | 337.8 g/mol |
| Molecular Formula | C17H20ClNO4 |
| Exact Mass | 337.108086 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H6s6SNZfSsi |
|---|---|
| Name | Succinic acid, 6-chlorohexyl 4-cyanophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 337.108085824 u |
| Formula | C17H20ClNO4 |
| InChI | InChI=1S/C17H20ClNO4/c18-11-3-1-2-4-12-22-16(20)9-10-17(21)23-15-7-5-14(13-19)6-8-15/h5-8H,1-4,9-12H2 |
| InChIKey | YOKNTAJUAZKDJU-UHFFFAOYSA-N |
| Molecular Weight | 337.803 g/mol |
| SMILES | C(Cl)CCCCCOC(CCC(=O)OC1=CC=C(C=C1)C#N)=O |