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2,5-Dimethylbenzenesulfonic acid, ammonium salt

View entire compound with spectra: 2 MS (GC)

2,5-Dimethylbenzenesulfonic acid, ammonium salt
SpectraBase Compound ID 6WDthIViuzF
InChI InChI=1S/C8H10O3S.N/c1-6-3-4-7(2)8(5-6)12(9,10)11;/h3-5H,1-2H3,(H,9,10,11);/q;+1/p-1
InChIKey ZWORDTAADIUIRB-UHFFFAOYSA-M
Mol Weight 199.22 g/mol
Molecular Formula C8H9NO3S
Exact Mass 199.030314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JbdIHzkKwGS
Name 2,5-Dimethylbenzenesulfonic acid, ammonium salt
Alternate Name(s) 2,5-Dimethylbenolsulfonsaeure-ammoniumsalz Ammonium 2,5-dimethyl-benzenesulfonate ammonium 2,5-dimethylbesylate azanium 2,5-dimethylbenzenesulfonate ammonium;2,5-dimethylbenzenesulfonate azanium;2,5-dimethylbenzenesulfonate
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Formula C8H13NO3S
InChI InChI=1S/C8H10O3S.N/c1-6-3-4-7(2)8(5-6)12(9,10)11;/h3-5H,1-2H3,(H,9,10,11);/q;+1/p-1
InChIKey ZWORDTAADIUIRB-UHFFFAOYSA-M
Molecular Weight 203.256 g/mol
SMILES [NH4+].c1(S([O-])(=O)=O)c(ccc(c1)C)C
SPLASH splash10-0udr-0900000000-d810738b8bd32892a937
Wiley ID 1510174