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4-amino-2,5-xylenesulfonic acid
SpectraBase Compound ID JdJejJP44iI
InChI InChI=1S/C8H11NO3S/c1-5-4-8(13(10,11)12)6(2)3-7(5)9/h3-4H,9H2,1-2H3,(H,10,11,12)
InChIKey QTYQPEBQHHUSIK-UHFFFAOYSA-N
Mol Weight 201.24 g/mol
Molecular Formula C8H11NO3S
Exact Mass 201.045964 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6pL6W6KQN3E
Name 4-Amino-2,5-dimethyl-benzenesulfonic acid, anion
CAS Registry Number 27897-08-1
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Formula C8H11NO3S
InChI InChI=1S/C8H11NO3S/c1-5-4-8(13(10,11)12)6(2)3-7(5)9/h3-4H,9H2,1-2H3,(H,10,11,12)
InChIKey QTYQPEBQHHUSIK-UHFFFAOYSA-N
Instrument Name Bruker AM-270
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6