![2-Chloro-3-[2'-(N,N-diethylamino)ethoxy]-1,4-naphthoquinone](/api/spectrum/ET0hamVVGIL/structure.png?h=300&w=458 "2-Chloro-3-[2'-(N,N-diethylamino)ethoxy]-1,4-naphthoquinone")
| SpectraBase Compound ID | 687BN0XmeV4 |
|---|---|
| InChI | InChI=1S/C16H18ClNO3/c1-3-18(4-2)9-10-21-16-13(17)14(19)11-7-5-6-8-12(11)15(16)20/h5-8H,3-4,9-10H2,1-2H3 |
| InChIKey | LPXSMOZFDIZXIL-UHFFFAOYSA-N |
| Mol Weight | 307.78 g/mol |
| Molecular Formula | C16H18ClNO3 |
| Exact Mass | 307.097521 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ET0hamVVGIL |
|---|---|
| Name | 2-Chloro-3-[2'-(N,N-diethylamino)ethoxy]-1,4-naphthoquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.097521141 u |
| Formula | C16H18ClNO3 |
| InChI | InChI=1S/C16H18ClNO3/c1-3-18(4-2)9-10-21-16-13(17)14(19)11-7-5-6-8-12(11)15(16)20/h5-8H,3-4,9-10H2,1-2H3 |
| InChIKey | LPXSMOZFDIZXIL-UHFFFAOYSA-N |
| Molecular Weight | 307.777 g/mol |
| SMILES | C1(=C(C(=O)C2=C(C1=O)C=CC=C2)OCCN(CC)CC)Cl |