| SpectraBase Compound ID | B2qM4ZFUfzK |
|---|---|
| InChI | InChI=1S/C17H24N2O6/c1-3-4-5-6-7-8-9-13(2)25-17(20)14-10-15(18(21)22)12-16(11-14)19(23)24/h10-13H,3-9H2,1-2H3 |
| InChIKey | HPYNBZPBELXXHU-UHFFFAOYSA-N |
| Mol Weight | 352.39 g/mol |
| Molecular Formula | C17H24N2O6 |
| Exact Mass | 352.163436 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | PJfucFGN4s |
|---|---|
| Name | Decan-2-yl 3,5-dinitrobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.163436495 u |
| Formula | C17H24N2O6 |
| InChI | InChI=1S/C17H24N2O6/c1-3-4-5-6-7-8-9-13(2)25-17(20)14-10-15(18(21)22)12-16(11-14)19(23)24/h10-13H,3-9H2,1-2H3 |
| InChIKey | HPYNBZPBELXXHU-UHFFFAOYSA-N |
| Molecular Weight | 352.387 g/mol |
| SMILES | C1(=CC(=CC(=C1)N(=O)=O)N(=O)=O)C(=O)OC(C)CCCCCCCC |