![2-Chloro-3-[(4-chlorobutyl)amino]naphthalene-1,4-dione](/api/spectrum/49xQBqBaH25/structure.png?h=300&w=458 "2-Chloro-3-[(4-chlorobutyl)amino]naphthalene-1,4-dione")
| SpectraBase Compound ID | F23nUFE9HAB |
|---|---|
| InChI | InChI=1S/C14H13Cl2NO2/c15-7-3-4-8-17-12-11(16)13(18)9-5-1-2-6-10(9)14(12)19/h1-2,5-6,17H,3-4,7-8H2 |
| InChIKey | WEABENYGMJIMJW-UHFFFAOYSA-N |
| Mol Weight | 298.17 g/mol |
| Molecular Formula | C14H13Cl2NO2 |
| Exact Mass | 297.032334 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 49xQBqBaH25 |
|---|---|
| Name | 2-Chloro-3-[(4-chlorobutyl)amino]naphthalene-1,4-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.032334061 u |
| Formula | C14H13Cl2NO2 |
| InChI | InChI=1S/C14H13Cl2NO2/c15-7-3-4-8-17-12-11(16)13(18)9-5-1-2-6-10(9)14(12)19/h1-2,5-6,17H,3-4,7-8H2 |
| InChIKey | WEABENYGMJIMJW-UHFFFAOYSA-N |
| Molecular Weight | 298.169 g/mol |
| SMILES | C12=CC=CC=C2C(C(=C(C1=O)NCCCCCl)Cl)=O |