| SpectraBase Compound ID | 7vaK4u3Mpr8 |
|---|---|
| InChI | InChI=1S/C17H22N2O6/c1-2-3-4-5-6-7-8-9-10-25-17(20)14-11-15(18(21)22)13-16(12-14)19(23)24/h6-7,11-13H,2-5,8-10H2,1H3/b7-6- |
| InChIKey | MGPJETGWCBDIKR-SREVYHEPSA-N |
| Mol Weight | 350.37 g/mol |
| Molecular Formula | C17H22N2O6 |
| Exact Mass | 350.147786 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CCkrEPLP1Mc |
|---|---|
| Name | (Z)-dec-4-Enyl 3,5-dinitrobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.147786430 u |
| Formula | C17H22N2O6 |
| InChI | InChI=1S/C17H22N2O6/c1-2-3-4-5-6-7-8-9-10-25-17(20)14-11-15(18(21)22)13-16(12-14)19(23)24/h6-7,11-13H,2-5,8-10H2,1H3/b7-6- |
| InChIKey | MGPJETGWCBDIKR-SREVYHEPSA-N |
| Molecular Weight | 350.371 g/mol |
| SMILES | C1(=CC(=CC(=C1)N(=O)=O)N(=O)=O)C(=O)OCCC\C=C/CCCCC |