| SpectraBase Compound ID | 5ARzVemUeeD |
|---|---|
| InChI | InChI=1S/C13H12ClNO4/c14-7-8-18-12(16)5-6-13(17)19-11-3-1-10(9-15)2-4-11/h1-4H,5-8H2 |
| InChIKey | DGPKDEUHHJQHQR-UHFFFAOYSA-N |
| Mol Weight | 281.69 g/mol |
| Molecular Formula | C13H12ClNO4 |
| Exact Mass | 281.045486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IIGHczZi22K |
|---|---|
| Name | Succinic acid, 2-chloroethyl 4-cyanophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.045485566 u |
| Formula | C13H12ClNO4 |
| InChI | InChI=1S/C13H12ClNO4/c14-7-8-18-12(16)5-6-13(17)19-11-3-1-10(9-15)2-4-11/h1-4H,5-8H2 |
| InChIKey | DGPKDEUHHJQHQR-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC(=C1)OC(CCC(OCCCl)=O)=O)C#N |