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N1-ethyl-3,5-dimethoxybenzene-1,4-diaminium 4-methylbenzenesulfonate

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N1-ethyl-3,5-dimethoxybenzene-1,4-diaminium 4-methylbenzenesulfonate
SpectraBase Compound ID 86YC2AtqNMY
InChI InChI=1S/C10H16N2O2.2C7H8O3S/c1-4-12-7-5-8(13-2)10(11)9(6-7)14-3;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-6,12H,4,11H2,1-3H3;2*2-5H,1H3,(H,8,9,10)
InChIKey IDCVNOXAEWYOTJ-UHFFFAOYSA-N
Mol Weight 540.65 g/mol
Molecular Formula C24H32N2O8S2
Exact Mass 540.160008 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DhRMAcd1noH
Name N1-Ethyl-3,5-dimethoxybenzene-1,4-diaminium 4-methylbenzenesulfonate
Comments Computed using HOSE algorithm
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Exact Mass 540.160008338 u
Formula C24H32N2O8S2
InChI InChI=1S/C10H16N2O2.2C7H8O3S/c1-4-12-7-5-8(13-2)10(11)9(6-7)14-3;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-6,12H,4,11H2,1-3H3;2*2-5H,1H3,(H,8,9,10)
InChIKey IDCVNOXAEWYOTJ-UHFFFAOYSA-N
Molecular Weight 540.646 g/mol
SMILES CC1=CC=C(C=C1)S([O-])(=O)=O.CC[NH2+]C=1C=C(C(=C(C1)OC)[NH3+])OC.CC1=CC=C(C=C1)S([O-])(=O)=O