| SpectraBase Compound ID | FXc40AwwYgH |
|---|---|
| InChI | InChI=1S/C15H19ClN2O6/c16-7-5-3-1-2-4-6-8-24-15(19)12-9-13(17(20)21)11-14(10-12)18(22)23/h9-11H,1-8H2 |
| InChIKey | XYJFAXKBTUZNEO-UHFFFAOYSA-N |
| Mol Weight | 358.78 g/mol |
| Molecular Formula | C15H19ClN2O6 |
| Exact Mass | 358.093164 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1d77qnX1Nu6 |
|---|---|
| Name | 8-Chlorooctyl 3,5-dinitrobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.093164034 u |
| Formula | C15H19ClN2O6 |
| InChI | InChI=1S/C15H19ClN2O6/c16-7-5-3-1-2-4-6-8-24-15(19)12-9-13(17(20)21)11-14(10-12)18(22)23/h9-11H,1-8H2 |
| InChIKey | XYJFAXKBTUZNEO-UHFFFAOYSA-N |
| Molecular Weight | 358.778 g/mol |
| SMILES | C1(=CC(=CC(=C1)N(=O)=O)N(=O)=O)C(=O)OCCCCCCCCCl |