FAST VIOLET B SALT(13983-15-8) IR2
Product NameFAST VIOLET B SALT
CAS13983-15-8
Molecular FormulaC30H28Cl4N6O4Zn
Molecular Weight743.78
InChIInChI=1S/2C15H13N3O2.4ClH.Zn/c2*1-10-8-13(18-16)14(20-2)9-12(10)17-15(19)11-6-4-3-5-7-11;;;;;/h2*3-9H,1-2H3;4*1H;/q;;;;;;+2/p-2
InChIKey KIWIFIXMWIMRBZ-UHFFFAOYSA-L
SmilesC1(NC(=O)C2=CC=CC=C2)=C(C)C=C([N+]#N)C(OC)=C1.C1(NC(=O)C2C=CC=CC=2)=C(C)C=C([N+]#N)C(OC)=C1.[Zn](Cl)Cl.[Cl-].[Cl-]
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C15 H14 Cl N3 O2 0.039 g : 0.5 ml DMSO-d6 Fast Violet B salt 
Assign. Shift(ppm)
A 10.4 B 8.460 C 8.102 D 8.061 E 7.695 F 7.605 G 4.164 J 2.434
Hz ppm Int.4166.56 10.426 184 3381.65 8.462 242 3381.04 8.461 241 3277.44 8.201 319 3225.40 8.071 209 3220.21 8.058 75 3218.23 8.053 237 3216.86 8.050 189 3084.56 7.719 46 3083.34 7.716 32 3079.07 7.705 39 3077.24 7.700 122 3075.26 7.695 48 3070.98 7.685 61 3069.76 7.682 96 3068.54 7.679 58 3046.42 7.623 164 3038.64 7.604 240 3032.99 7.590 50 3031.31 7.585 103 1664.28 4.165 1000 973.05 2.435 694
D2O
KBr disc
nujol mull
