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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8cbZl7k4kEk
Name Benzoic acid, 4-(methylthio)-3-nitro-
CAS Registry Number 64399-24-2
Copyright Copyright © 2020-2024 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
Molecular Weight 213.207 g/mol
SMILES OC(c1ccc(c(c1)N(=O)=O)SC)=O
SPLASH splash10-03mj-9500000000-db4948351279bbe06bd8
Source of Spectrum W5-17401-0-0
Synonyms 4-(Methylsulfanyl)-3-nitrobenzoic acid 4-(methylthio)-3-nitro-benzoic acid 4-(methylthio)-3-nitrobenzoic acid 4-Methylsulfanyl-3-nitrobenzoic acid
Wiley ID 1212328