![2-[(3-Chloropropyl)amino]naphthalene-1,4-dione](/api/spectrum/IRlbshW8nHs/structure.png?h=300&w=458 "2-[(3-Chloropropyl)amino]naphthalene-1,4-dione")
| SpectraBase Compound ID | Hoo1IIg25h3 |
|---|---|
| InChI | InChI=1S/C13H12ClNO2/c14-6-3-7-15-11-8-12(16)9-4-1-2-5-10(9)13(11)17/h1-2,4-5,8,15H,3,6-7H2 |
| InChIKey | OFYKYMMOGDUSLH-UHFFFAOYSA-N |
| Mol Weight | 249.7 g/mol |
| Molecular Formula | C13H12ClNO2 |
| Exact Mass | 249.055656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IRlbshW8nHs |
|---|---|
| Name | 2-[(3-Chloropropyl)amino]naphthalene-1,4-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.055656328 u |
| Formula | C13H12ClNO2 |
| InChI | InChI=1S/C13H12ClNO2/c14-6-3-7-15-11-8-12(16)9-4-1-2-5-10(9)13(11)17/h1-2,4-5,8,15H,3,6-7H2 |
| InChIKey | OFYKYMMOGDUSLH-UHFFFAOYSA-N |
| Molecular Weight | 249.697 g/mol |
| SMILES | C1=CC=CC2=C1C(C=C(C2=O)NCCCCl)=O |