![Butanoic acid, 4-[(2,5-dichlorophenyl)amino]-4-oxo-, methyl ester](/api/spectrum/BLKbNCTln09/structure.png?h=300&w=458 "Butanoic acid, 4-[(2,5-dichlorophenyl)amino]-4-oxo-, methyl ester")
| SpectraBase Compound ID | 1Tb4Zil45u0 |
|---|---|
| InChI | InChI=1S/C11H11Cl2NO3/c1-17-11(16)5-4-10(15)14-9-6-7(12)2-3-8(9)13/h2-3,6H,4-5H2,1H3,(H,14,15) |
| InChIKey | SIGQHBKVTTZWGQ-UHFFFAOYSA-N |
| Mol Weight | 276.12 g/mol |
| Molecular Formula | C11H11Cl2NO3 |
| Exact Mass | 275.011599 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BLKbNCTln09 |
|---|---|
| Name | Butanoic acid, 4-[(2,5-dichlorophenyl)amino]-4-oxo-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.011598615 u |
| Formula | C11H11Cl2NO3 |
| InChI | InChI=1S/C11H11Cl2NO3/c1-17-11(16)5-4-10(15)14-9-6-7(12)2-3-8(9)13/h2-3,6H,4-5H2,1H3,(H,14,15) |
| InChIKey | SIGQHBKVTTZWGQ-UHFFFAOYSA-N |
| Molecular Weight | 276.119 g/mol |
| SMILES | N(C=1C=C(Cl)C=CC1Cl)C(=O)CCC(=O)OC |