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Benzoic acid, 4-(methylthio)-3-nitro-
SpectraBase Compound ID 1YZA7UDcCJn
InChI InChI=1S/C8H7NO4S/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3,(H,10,11)
InChIKey BPZVSOOQLVSCDF-UHFFFAOYSA-N
Mol Weight 213.21 g/mol
Molecular Formula C8H7NO4S
Exact Mass 213.009579 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I0zmOa4MkB3
Name 4-(METHYLTHIO)-3-NITROBENZOIC ACID
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NO4S
InChI InChI=1S/C8H7NO4S/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3,(H,10,11)
InChIKey BPZVSOOQLVSCDF-UHFFFAOYSA-N
Melting Point 242-245C
Molecular Weight 213.21
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BENZOIC ACID, 4-/METHYLTHIO/-3- NITRO-,