| SpectraBase Compound ID | 3NfjKrYfY4U |
|---|---|
| InChI | InChI=1S/C14H20N2O4/c1-14(2,16(19)20)10-6-9-13(11-15(17)18)12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3 |
| InChIKey | RDQOWODJZYWLPS-UHFFFAOYSA-N |
| Mol Weight | 280.32 g/mol |
| Molecular Formula | C14H20N2O4 |
| Exact Mass | 280.142307 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3oZWs2Dl4Kc |
|---|---|
| Name | 1,6-Dinitro-6-methyl-2-phenylheptane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.142307128 u |
| Formula | C14H20N2O4 |
| InChI | InChI=1S/C14H20N2O4/c1-14(2,16(19)20)10-6-9-13(11-15(17)18)12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3 |
| InChIKey | RDQOWODJZYWLPS-UHFFFAOYSA-N |
| SMILES | C(N(=O)=O)(CCCC(CN(=O)=O)C1=CC=CC=C1)(C)C |