![Acetic acid, 2-[(3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino]ethyl ester](/api/spectrum/5BxgNdpKtrU/structure.png?h=300&w=458 "Acetic acid, 2-[(3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino]ethyl ester")
| SpectraBase Compound ID | 90H7uXXIbSy |
|---|---|
| InChI | InChI=1S/C14H12ClNO4/c1-8(17)20-7-6-16-12-11(15)13(18)9-4-2-3-5-10(9)14(12)19/h2-5,16H,6-7H2,1H3 |
| InChIKey | QXPIFSDTAUDJQN-UHFFFAOYSA-N |
| Mol Weight | 293.71 g/mol |
| Molecular Formula | C14H12ClNO4 |
| Exact Mass | 293.045486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5BxgNdpKtrU |
|---|---|
| Name | Acetic acid, 2-[(3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino]ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.045485566 u |
| Formula | C14H12ClNO4 |
| InChI | InChI=1S/C14H12ClNO4/c1-8(17)20-7-6-16-12-11(15)13(18)9-4-2-3-5-10(9)14(12)19/h2-5,16H,6-7H2,1H3 |
| InChIKey | QXPIFSDTAUDJQN-UHFFFAOYSA-N |
| SMILES | C1(=C(C(=O)C=2C(C1=O)=CC=CC2)Cl)NCCOC(=O)C |