![Ethanol, 2-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-](/api/spectrum/HuY8Yozn4Eb/structure.png?h=300&w=458 "Ethanol, 2-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-")
| SpectraBase Compound ID | L2TdvgW7bCa |
|---|---|
| InChI | InChI=1S/C12H16ClN3O3/c13-11-9-10(16(18)19)1-2-12(11)15-5-3-14(4-6-15)7-8-17/h1-2,9,17H,3-8H2 |
| InChIKey | CSOGHWZVDGBXNY-UHFFFAOYSA-N |
| Mol Weight | 285.73 g/mol |
| Molecular Formula | C12H16ClN3O3 |
| Exact Mass | 285.088019 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HuY8Yozn4Eb |
|---|---|
| Name | Ethanol, 2-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.088019084 u |
| Formula | C12H16ClN3O3 |
| InChI | InChI=1S/C12H16ClN3O3/c13-11-9-10(16(18)19)1-2-12(11)15-5-3-14(4-6-15)7-8-17/h1-2,9,17H,3-8H2 |
| InChIKey | CSOGHWZVDGBXNY-UHFFFAOYSA-N |
| Molecular Weight | 285.731 g/mol |
| SMILES | C(O)CN1CCN(C2=CC=C(N(=O)=O)C=C2Cl)CC1 |