1H-Benzotriazol-1-yloxytris(dimethylamino)phosphonium Hexafluorophosphate(56602-33-6) MS
Molecular FormulaC12H22F6N6OP2
Molecular Weight442.29
InChIInChI=1S/C12H22N6OP.F6P/c1-15(2)20(16(3)4,17(5)6)19-18-12-10-8-7-9-11(12)13-14-18;1-7(2,3,4,5)6/h7-10H,1-6H3;/q+1;-1
InChIKey MGEVGECQZUIPSV-UHFFFAOYSA-N
Smiles[P+5]([F-])([F-])([F-])([F-])([F-])[F-].[P+](N(C)C)(N(C)C)(N(C)C)ON1N=NC2C=CC=CC1=2
-
MassMS-IW-6165 ((1-benzotriazolyl)oxy)tris(dimethylamino)phosphonium hexafluorophosphate C12H22F6N6OP2 (Mass of molecular ion: 442)
Source Temperature: 170 °C Sample Temperature: 180 °C Direct, 75 eV
15.0 1.6 18.0 5.0 20.0 1.1 28.0 4.6 30.0 1.9 37.0 2.7 38.0 4.7 39.0 4.5 40.0 1.7 41.0 7.1 42.0 14.3 43.0 6.9 44.0 61.6 44.5 1.9 45.0 36.4 45.5 2.7 46.0 7.7 47.0 1.8 50.0 1.7 51.0 2.4 52.0 6.7 57.0 1.8 58.0 5.3 59.5 1.2 60.0 2.3 61.0 1.8 62.0 3.0 63.0 15.4 64.0 33.9 65.0 7.9 73.0 1.8 75.0 1.5 76.0 3.2 77.0 3.4 78.0 3.6 88.0 3.2 90.0 6.0 91.0 64.2 92.0 20.5 93.0 5.7 104.0 2.4 107.0 11.2 110.0 7.2 111.0 1.0 119.0 100.0 120.0 9.7 121.0 39.3 122.0 17.9 132.0 1.4 133.0 7.7 134.0 13.1 135.0 92.3 136.0 13.3 138.0 2.2 139.0 1.0 153.0 4.0 154.0 4.9 165.0 25.4 166.0 2.3 176.0 1.7 177.0 18.3 178.0 7.9 179.0 19.3 180.0 4.8 181.0 2.8 182.0 2.7 296.0 1.8
400 MHz in CDCl3
-
1H NMR 399.65 MHz C12 H22 F6 N6 O P2 0.042 g : 0.5 ml CDCl3 ((1-benzotriazolyl)oxy)tris(dimethylamino)phosphonium hexafluorophosphate 
Assign. Shift(ppm)
A 8.063 B 7.768 C 7.699 D 7.530 E 2.863
Hz ppm Int.3226.93 8.075 49 3219.24 8.056 32 3218.38 8.053 53 3105.59 7.771 32 3104.74 7.769 30 3098.75 7.754 34 3097.78 7.752 32 3080.93 7.710 35 3080.08 7.707 58 3079.10 7.705 35 3071.66 7.686 35 3009.40 7.531 32 1149.78 2.877 1000 1139.16 2.851 986
in CDCl3
KBr disc
nujol mull
