| SpectraBase Compound ID | HPlQcDsNlCm |
|---|---|
| InChI | InChI=1S/C18H16ClNO6/c1-11(21)3-4-12-5-8-16(17(9-12)25-2)26-18(22)14-7-6-13(19)10-15(14)20(23)24/h5-10H,3-4H2,1-2H3 |
| InChIKey | LAOFQSPDGIIBST-UHFFFAOYSA-N |
| Mol Weight | 377.78 g/mol |
| Molecular Formula | C18H16ClNO6 |
| Exact Mass | 377.066615 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DHfrfV5dSlN |
|---|---|
| Name | 4-chloro-2-nitrobenzoic acid, 2-methoxy-4-(3-oxobutyl)phenyl ester |
| Copyright | Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H16ClNO6 |
| InChI | InChI=1S/C18H16ClNO6/c1-11(21)3-4-12-5-8-16(17(9-12)25-2)26-18(22)14-7-6-13(19)10-15(14)20(23)24/h5-10H,3-4H2,1-2H3 |
| InChIKey | LAOFQSPDGIIBST-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 39044M |
| Solvent | CDCl3 |