![(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)[(4-nitrophenyl)methyl]amine](/api/spectrum/UJjMGoAJSy/structure.png?h=300&w=458 "(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)[(4-nitrophenyl)methyl]amine")
| SpectraBase Compound ID | KlFImGfWXUG |
|---|---|
| InChI | InChI=1S/C16H16N2O4/c19-18(20)13-7-5-12(6-8-13)9-17-10-14-11-21-15-3-1-2-4-16(15)22-14/h1-8,14,17H,9-11H2 |
| InChIKey | ZVFMCHZKQINZFX-UHFFFAOYSA-N |
| Mol Weight | 300.31 g/mol |
| Molecular Formula | C16H16N2O4 |
| Exact Mass | 300.111007 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | UJjMGoAJSy |
|---|---|
| Name | (2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)[(4-nitrophenyl)methyl]amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.111006999 u |
| Formula | C16H16N2O4 |
| InChI | InChI=1S/C16H16N2O4/c19-18(20)13-7-5-12(6-8-13)9-17-10-14-11-21-15-3-1-2-4-16(15)22-14/h1-8,14,17H,9-11H2 |
| InChIKey | ZVFMCHZKQINZFX-UHFFFAOYSA-N |
| SMILES | C1=CC=2OCC(OC2C=C1)CNCC1=CC=C(N(=O)=O)C=C1 |