![4-[(4-chloro-2,5-xylyl)sulfonyl]-3-nitrobenzoic acid](/api/spectrum/Gp42aavNmcz/structure.png?h=300&w=458 "4-[(4-chloro-2,5-xylyl)sulfonyl]-3-nitrobenzoic acid")
| SpectraBase Compound ID | HaNUnw8afiF |
|---|---|
| InChI | InChI=1S/C15H12ClNO6S/c1-8-6-14(9(2)5-11(8)16)24(22,23)13-4-3-10(15(18)19)7-12(13)17(20)21/h3-7H,1-2H3,(H,18,19) |
| InChIKey | PSOCCUYOZSQCOF-UHFFFAOYSA-N |
| Mol Weight | 369.78 g/mol |
| Molecular Formula | C15H12ClNO6S |
| Exact Mass | 369.007386 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gp42aavNmcz |
|---|---|
| Name | 4-[(4-chloro-2,5-xylyl)sulfonyl]-3-nitrobenzoic acid |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H12ClNO6S |
| InChI | InChI=1S/C15H12ClNO6S/c1-8-6-14(9(2)5-11(8)16)24(22,23)13-4-3-10(15(18)19)7-12(13)17(20)21/h3-7H,1-2H3,(H,18,19) |
| InChIKey | PSOCCUYOZSQCOF-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 48771M |
| Solvent | DMSO-d6 |