SpectraBase Compound ID | HMhEGKV00JW |
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InChI | InChI=1S/C14H11NO4S/c1-9-2-5-11(6-3-9)20-13-7-4-10(14(16)17)8-12(13)15(18)19/h2-8H,1H3,(H,16,17) |
InChIKey | XXUBZSQLPIRCFW-UHFFFAOYSA-N |
Mol Weight | 289.31 g/mol |
Molecular Formula | C14H11NO4S |
Exact Mass | 289.040879 g/mol |
SpectraBase Spectrum ID | xtPYsqiWCo |
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Name | 3-nitro-4-(p-tolylthio)benzoic acid |
Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C14H11NO4S |
InChI | InChI=1S/C14H11NO4S/c1-9-2-5-11(6-3-9)20-13-7-4-10(14(16)17)8-12(13)15(18)19/h2-8H,1H3,(H,16,17) |
InChIKey | XXUBZSQLPIRCFW-UHFFFAOYSA-N |
Instrument Name | Varian CFT-20 |
Sadtler NMR Number | 48768M |
Solvent | DMSO-d6 |