![2-Chloro-3-[(4-hydroxybutyl)amino]naphthalene-1,4-dione](/api/spectrum/7wELzqdOCRH/structure.png?h=300&w=458 "2-Chloro-3-[(4-hydroxybutyl)amino]naphthalene-1,4-dione")
| SpectraBase Compound ID | F5imhKk6fh4 |
|---|---|
| InChI | InChI=1S/C14H14ClNO3/c15-11-12(16-7-3-4-8-17)14(19)10-6-2-1-5-9(10)13(11)18/h1-2,5-6,16-17H,3-4,7-8H2 |
| InChIKey | WWSYHNMJAAKUOZ-UHFFFAOYSA-N |
| Mol Weight | 279.72 g/mol |
| Molecular Formula | C14H14ClNO3 |
| Exact Mass | 279.066221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7wELzqdOCRH |
|---|---|
| Name | 2-Chloro-3-[(4-hydroxybutyl)amino]naphthalene-1,4-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.066221012 u |
| Formula | C14H14ClNO3 |
| InChI | InChI=1S/C14H14ClNO3/c15-11-12(16-7-3-4-8-17)14(19)10-6-2-1-5-9(10)13(11)18/h1-2,5-6,16-17H,3-4,7-8H2 |
| InChIKey | WWSYHNMJAAKUOZ-UHFFFAOYSA-N |
| SMILES | C(CCCNC1=C(Cl)C(C2=CC=CC=C2C1=O)=O)O |