| SpectraBase Compound ID | 6kRD8MDORTq |
|---|---|
| InChI | InChI=1S/C16H18N2O4/c19-17(20)14-2-1-13(6-15(14)18(21)22)16-7-10-3-11(8-16)5-12(4-10)9-16/h1-2,6,10-12H,3-5,7-9H2 |
| InChIKey | BXLUNPNZYFVOSL-UHFFFAOYSA-N |
| Mol Weight | 302.33 g/mol |
| Molecular Formula | C16H18N2O4 |
| Exact Mass | 302.126657 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | QaA0ou8AhR |
|---|---|
| Name | 1-(3,4-Dinitrophenyl)adamantane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.126657064 u |
| Formula | C16H18N2O4 |
| InChI | InChI=1S/C16H18N2O4/c19-17(20)14-2-1-13(6-15(14)18(21)22)16-7-10-3-11(8-16)5-12(4-10)9-16/h1-2,6,10-12H,3-5,7-9H2 |
| InChIKey | BXLUNPNZYFVOSL-UHFFFAOYSA-N |
| Molecular Weight | 302.330 g/mol |
| SMILES | C=1(C(N(=O)=O)=CC=C(C23CC4CC(C3)CC(C2)C4)C1)N(=O)=O |