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4-Amino-3-bromo-5-methylbenzenesulfonic acid

View entire compound with spectra: 1 MS (GC)

4-Amino-3-bromo-5-methylbenzenesulfonic acid
SpectraBase Compound ID HM5Mf7kbYhB
InChI InChI=1S/C7H8BrNO3S/c1-4-2-5(13(10,11)12)3-6(8)7(4)9/h2-3H,9H2,1H3,(H,10,11,12)
InChIKey YHQGOEASGLXMCH-UHFFFAOYSA-N
Mol Weight 266.11 g/mol
Molecular Formula C7H8BrNO3S
Exact Mass 264.940827 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID X5Gthit4y
Name 4-Amino-3-bromo-5-methylbenzenesulfonic acid
Alternate Name(s) 4-Amino-3-bromo-5-methyl-benzenesulfonic acid 4-Azanyl-3-bromanyl-5-methyl-benzenesulfonic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H8BrNO3S
InChI InChI=1S/C7H8BrNO3S/c1-4-2-5(13(10,11)12)3-6(8)7(4)9/h2-3H,9H2,1H3,(H,10,11,12)
InChIKey YHQGOEASGLXMCH-UHFFFAOYSA-N
Molecular Weight 266.109 g/mol
SMILES Nc1c(cc(S(=O)(=O)O)cc1Br)C
SPLASH splash10-0gdi-9430000000-a20c8294f2d35e27a5e7
Source of Spectrum IY-1-4238-2
Wiley ID 1650386