| SpectraBase Compound ID | DXOXn4S83ce |
|---|---|
| InChI | InChI=1S/C13H13Cl2NO6/c14-11(15)8-21-12(17)5-2-6-13(18)22-10-4-1-3-9(7-10)16(19)20/h1,3-4,7,11H,2,5-6,8H2 |
| InChIKey | PWJVDPGQOPWVOM-UHFFFAOYSA-N |
| Mol Weight | 350.15 g/mol |
| Molecular Formula | C13H13Cl2NO6 |
| Exact Mass | 349.011993 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | XirEOu7YPm |
|---|---|
| Name | Glutaric acid, 2,2-dichloroethyl 3-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 349.011992537 u |
| Formula | C13H13Cl2NO6 |
| InChI | InChI=1S/C13H13Cl2NO6/c14-11(15)8-21-12(17)5-2-6-13(18)22-10-4-1-3-9(7-10)16(19)20/h1,3-4,7,11H,2,5-6,8H2 |
| InChIKey | PWJVDPGQOPWVOM-UHFFFAOYSA-N |
| Molecular Weight | 350.154 g/mol |
| SMILES | C(CCC(OCC(Cl)Cl)=O)C(OC1=CC=CC(=C1)N(=O)=O)=O |