| SpectraBase Compound ID | BTaXc1e7C4d |
|---|---|
| InChI | InChI=1S/C12H12N2O6/c1-8(2)3-4-20-12(15)9-5-10(13(16)17)7-11(6-9)14(18)19/h5-7H,1,3-4H2,2H3 |
| InChIKey | XGFGKTGBDOKXEY-UHFFFAOYSA-N |
| Mol Weight | 280.24 g/mol |
| Molecular Formula | C12H12N2O6 |
| Exact Mass | 280.069536 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K3HHvwGUEmt |
|---|---|
| Name | 3-Methylbut-3-enyl 3,5-dinitrobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.069536108 u |
| Formula | C12H12N2O6 |
| InChI | InChI=1S/C12H12N2O6/c1-8(2)3-4-20-12(15)9-5-10(13(16)17)7-11(6-9)14(18)19/h5-7H,1,3-4H2,2H3 |
| InChIKey | XGFGKTGBDOKXEY-UHFFFAOYSA-N |
| SMILES | C1(=CC(=CC(=C1)N(=O)=O)N(=O)=O)C(=O)OCCC(=C)C |