Basic Violet 1(8004-87-3) IR2
Product NameBasic Violet 1
CAS8004-87-3
Molecular FormulaC24H28ClN3
Molecular Weight393.95
InChIInChI=1S/C24H27N3.ClH/c1-25-21-12-6-18(7-13-21)24(19-8-14-22(15-9-19)26(2)3)20-10-16-23(17-11-20)27(4)5;/h6-17H,1-5H3;1H
InChIKey JFTBTTPUYRGXDG-UHFFFAOYSA-N
SmilesC(=C1C=CC(=NC)C=C1)(C1C=CC(N(C)C)=CC=1)C1C=CC(N(C)C)=CC=1.Cl |c:4,t:0|
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C24 H28 Cl N3 0.032 g : 0.5 ml DMSO-d6 Methyl Violet 2B 
Assign. Shift(ppm)
A 7.27 B 7.22 C 6.990 D 6.872 E 3.221 F 3.205
Hz ppm Int.2912.60 7.288 123 2906.25 7.272 102 2903.56 7.266 163 2897.22 7.250 102 2892.21 7.237 35 2888.55 7.228 44 2886.60 7.223 52 2879.76 7.206 34 2801.27 7.010 145 2792.24 6.987 180 2785.52 6.970 47 2783.81 6.966 80 2755.13 6.894 39 2745.97 6.871 61 2736.94 6.849 32 1287.48 3.222 1000 1281.01 3.206 589
in DMSO-d6
KBr disc
nujol mull
