1-(2,4,6-Triisopropylphenylsulfonyl)imidazole(50257-40-4) 13C NMR
Product Name1-(2,4,6-Triisopropylphenylsulfonyl)imidazole
CAS50257-40-4
Molecular FormulaC18H26N2O2S
Molecular Weight334.48
InChIInChI=1S/C18H26N2O2S/c1-12(2)15-9-16(13(3)4)18(17(10-15)14(5)6)23(21,22)20-8-7-19-11-20/h7-14H,1-6H3
InChIKey AGGRGODMKWLSDE-UHFFFAOYSA-N
SmilesC1N(S(C2=C(C(C)C)C=C(C(C)C)C=C2C(C)C)(=O)=O)C=CN=1
-
MassMS-NW-7957 1-(2,4,6-triisopropylphenylsulfonyl)imidazole C18H26N2O2S (Mass of molecular ion: 334)
Source Temperature: 160 °C Sample Temperature: 130 °C Direct, 75 eV
18.0 2.2 27.0 7.4 28.0 1.9 29.0 3.4 39.0 4.8 40.0 5.4 41.0 30.4 42.0 1.8 43.0 78.4 44.0 2.7 51.0 2.2 53.0 3.9 55.0 5.2 57.0 3.3 59.0 4.0 63.0 1.3 64.0 1.0 65.0 3.2 67.0 2.4 68.0 3.0 69.0 4.2 77.0 5.8 78.0 1.6 79.0 3.8 91.0 50.4 92.0 4.5 93.0 1.6 103.0 2.5 104.0 1.1 105.0 23.3 106.0 2.6 107.0 1.6 115.0 8.7 116.0 3.8 117.0 13.2 118.0 2.2 119.0 35.2 120.0 4.0 127.0 2.5 128.0 8.6 129.0 7.8 130.0 3.9 131.0 9.2 132.0 1.5 133.0 22.2 134.0 2.8 135.0 1.6 137.0 1.6 141.0 3.9 142.0 3.1 143.0 4.3 144.0 1.8 145.0 9.6 146.0 1.8 147.0 5.7 148.0 1.1 149.0 7.9 150.0 1.3 151.0 1.6 152.0 1.0 153.0 1.1 155.0 1.1 156.0 1.3 157.0 1.9 158.0 1.0 159.0 6.4 160.0 1.8 161.0 10.1 162.0 1.4 165.0 1.7 171.0 1.1 173.0 6.6 174.0 1.2 175.0 42.9 176.0 6.5 179.0 1.0 187.0 9.4 188.0 2.5 189.0 6.5 190.0 1.1 191.0 1.4 202.0 10.6 203.0 80.7 204.0 13.9 205.0 1.4 217.0 2.0 218.0 16.8 219.0 3.4 232.0 4.2 233.0 1.6 243.0 17.5 244.0 3.6 249.0 5.4 250.0 1.2 251.0 15.2 252.0 2.8 253.0 1.6 255.0 2.0 266.0 19.5 267.0 100.0 268.0 17.8 269.0 7.5 270.0 1.6 335.0 1.4
90 MHz in CDCl3
-
1H NMR 89.56 MHz C18 H26 N2 O2 S 0.041 g : 0.5 ml CDCl3 1-(2,4,6-triisopropylphenylsulfonyl)imidazole 
Assign. Shift(ppm)
A 7.968 B 7.227 C 7.20 D 7.075 E 4.104 F 2.922 G 1.26 J 1.19
Hz ppm Int.714.75 7.981 58 713.81 7.971 74 713.44 7.967 72 712.63 7.958 56 647.31 7.228 264 644.88 7.201 110 643.38 7.184 73 634.75 7.088 72 633.94 7.079 74 633.13 7.070 63 632.31 7.061 51 374.38 4.181 49 367.69 4.106 68 361.00 4.031 54 121.81 1.361 36 120.94 1.351 42 116.25 1.299 512 110.25 1.232 1000 103.50 1.156 812
in CDCl3
KBr disc
nujol mull
