| SpectraBase Compound ID | 6yE2t40A0tn |
|---|---|
| InChI | InChI=1S/C15H20BrN3O4/c1-15(2,3)23-14(20)18-8-6-17(7-9-18)13-5-4-11(19(21)22)10-12(13)16/h4-5,10H,6-9H2,1-3H3 |
| InChIKey | WUXKCMOKDQYLPF-UHFFFAOYSA-N |
| Mol Weight | 386.25 g/mol |
| Molecular Formula | C15H20BrN3O4 |
| Exact Mass | 385.063719 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KucTpY2MVcw |
|---|---|
| Name | 1-(4-boc-Piperazino)-2-bromo-4-nitrobenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 385.063719132 u |
| Formula | C15H20BrN3O4 |
| InChI | InChI=1S/C15H20BrN3O4/c1-15(2,3)23-14(20)18-8-6-17(7-9-18)13-5-4-11(19(21)22)10-12(13)16/h4-5,10H,6-9H2,1-3H3 |
| InChIKey | WUXKCMOKDQYLPF-UHFFFAOYSA-N |
| Molecular Weight | 386.246 g/mol |
| SMILES | C1N(CCN(C1)C1=C(C=C(C=C1)N(=O)=O)Br)C(=O)OC(C)(C)C |