![1,4-Naphthalenedione, 2-chloro-3-[(2,2-dimethoxyethyl)amino]-](/api/spectrum/L44qBf8oHOb/structure.png?h=300&w=458 "1,4-Naphthalenedione, 2-chloro-3-[(2,2-dimethoxyethyl)amino]-")
| SpectraBase Compound ID | H6gNEcZ0mCX |
|---|---|
| InChI | InChI=1S/C14H14ClNO4/c1-19-10(20-2)7-16-12-11(15)13(17)8-5-3-4-6-9(8)14(12)18/h3-6,10,16H,7H2,1-2H3 |
| InChIKey | FAGQKQIJTZRQPZ-UHFFFAOYSA-N |
| Mol Weight | 295.72 g/mol |
| Molecular Formula | C14H14ClNO4 |
| Exact Mass | 295.061136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L44qBf8oHOb |
|---|---|
| Name | 1,4-Naphthalenedione, 2-chloro-3-[(2,2-dimethoxyethyl)amino]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.061135631 u |
| Formula | C14H14ClNO4 |
| InChI | InChI=1S/C14H14ClNO4/c1-19-10(20-2)7-16-12-11(15)13(17)8-5-3-4-6-9(8)14(12)18/h3-6,10,16H,7H2,1-2H3 |
| InChIKey | FAGQKQIJTZRQPZ-UHFFFAOYSA-N |
| Molecular Weight | 295.722 g/mol |
| SMILES | C1(=C(C(=O)C2=C(C1=O)C=CC=C2)Cl)NCC(OC)OC |