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4-(methylsulfonyl)-3-nitrobenzoic acid
SpectraBase Compound ID GhnJOo51UkU
InChI InChI=1S/C8H7NO6S/c1-16(14,15)7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3,(H,10,11)
InChIKey MZIWQSVCXANUIX-UHFFFAOYSA-N
Mol Weight 245.2 g/mol
Molecular Formula C8H7NO6S
Exact Mass 244.999408 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DQ4clBp7mL1
Name 4-(methylsulfonyl)-3-nitrobenzoic acid
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
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Formula C8H7NO6S
InChI InChI=1S/C8H7NO6S/c1-16(14,15)7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3,(H,10,11)
InChIKey MZIWQSVCXANUIX-UHFFFAOYSA-N
Instrument Name Varian A-60
Sadtler NMR Number 7386M
Solvent DMSO-d6
Synonyms BENZOIC ACID, 4-/METHYLSULFONYL/-3- NITRO-,