PHENYLTRIMETHYLAMMONIUM METHOSULFATE(28001-58-3) 1H NMR
Product NamePHENYLTRIMETHYLAMMONIUM METHOSULFATE
CAS28001-58-3
Molecular FormulaC10H17NO4S
Molecular Weight247.31
InChIInChI=1S/C9H14N.CH4O4S/c1-10(2,3)9-7-5-4-6-8-9;1-5-6(2,3)4/h4-8H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKey FVPMMSKYNHPFOI-UHFFFAOYSA-M
SmilesC1([N+](C)(C)C)C=CC=CC=1.S([O-])(=O)(=O)OC
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H17 N O4 S 0.037 g : 0.5 ml CDCl3 trimethyl(phenyl)ammonium methyl sulfate 
Assign. Shift(ppm)
A 7.950 B 7.575 C 7.496 D 3.773 E 3.656
Hz ppm Int.3180.91 7.960 86 3172.85 7.940 92 3035.77 7.597 45 3033.81 7.592 29 3028.69 7.579 89 3020.02 7.557 66 3002.20 7.513 48 2994.87 7.494 60 2987.43 7.476 21 1522.71 3.811 26 1521.48 3.808 24 1507.93 3.774 1000 1495.61 3.743 25 1495.24 3.742 25 1494.38 3.740 25 1493.65 3.738 25 1461.55 3.658 599
in CDCl3
KBr disc
nujol mull
