1,3-Phenylenediamine sulfate(541-70-8) IR2
Product Name1,3-Phenylenediamine sulfate
CAS541-70-8
Molecular FormulaC6H10N2O4S
Molecular Weight206.22
InChIInChI=1S/C6H8N2.H2O4S/c7-5-2-1-3-6(8)4-5;1-5(2,3)4/h1-4H,7-8H2;(H2,1,2,3,4)
InChIKey LDXYDHGRKFMULJ-UHFFFAOYSA-N
SmilesNC1C=CC=C(N)C=1.S(O)(O)(=O)=O
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C6 H8 N2 0.041 g : 0.5 ml DMSO-d6 m-phenylenediamine sulfate 
Assign. Shift(ppm)
A 7.094 B 6.53 C 6.513
Hz ppm Int.2843.87 7.116 100 2842.04 7.112 66 2837.52 7.101 76 2835.45 7.095 196 2828.49 7.078 101 2827.64 7.076 124 2614.14 6.542 236 2612.06 6.536 362 2604.86 6.518 1000
in DMSO-d6
KBr disc
nujol mull
