| SpectraBase Compound ID | LczHLEJIzWb |
|---|---|
| InChI | InChI=1S/C17H23ClN2O6/c18-9-7-5-3-1-2-4-6-8-10-26-17(21)14-11-15(19(22)23)13-16(12-14)20(24)25/h11-13H,1-10H2 |
| InChIKey | STQBXYQWLKKLHF-UHFFFAOYSA-N |
| Mol Weight | 386.83 g/mol |
| Molecular Formula | C17H23ClN2O6 |
| Exact Mass | 386.124464 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4jN1G3JXGrw |
|---|---|
| Name | 10-Chlorodecyl 3,5-dinitrobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 386.124464163 u |
| Formula | C17H23ClN2O6 |
| InChI | InChI=1S/C17H23ClN2O6/c18-9-7-5-3-1-2-4-6-8-10-26-17(21)14-11-15(19(22)23)13-16(12-14)20(24)25/h11-13H,1-10H2 |
| InChIKey | STQBXYQWLKKLHF-UHFFFAOYSA-N |
| Molecular Weight | 386.832 g/mol |
| SMILES | C1(=CC(=CC(=C1)N(=O)=O)N(=O)=O)C(=O)OCCCCCCCCCCCl |