2,4,6-Triisopropylbenzenesulfonyl chloride(6553-96-4) 13C NMR
Product Name2,4,6-Triisopropylbenzenesulfonyl chloride
CAS6553-96-4
Molecular FormulaC15H23ClO2S
Molecular Weight302.86
InChIInChI=1S/C15H23ClO2S/c1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6/h7-11H,1-6H3
InChIKey JAPYIBBSTJFDAK-UHFFFAOYSA-N
SmilesC1(S(Cl)(=O)=O)=C(C(C)C)C=C(C(C)C)C=C1C(C)C
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MassMS-NW-2334 2,4,6-triisopropylbenzenesulfonyl chloride C15H23ClO2S (Mass of molecular ion: 302)
Source Temperature: 280 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 2.4 17.0 2.6 18.0 12.0 27.0 15.5 28.0 15.1 29.0 4.9 32.0 3.3 36.0 7.7 38.0 2.5 39.0 11.5 40.0 1.3 41.0 42.5 42.0 2.0 43.0 99.5 44.0 4.5 48.0 19.4 50.0 1.6 51.0 6.6 52.0 1.8 53.0 6.5 55.0 5.0 57.0 1.1 58.0 1.0 59.0 3.6 62.0 1.0 63.0 5.2 64.0 44.2 65.0 7.5 66.0 2.1 67.0 2.8 69.0 1.9 70.0 1.2 70.5 1.0 71.0 4.0 72.0 2.3 73.0 1.1 74.0 1.2 75.0 2.2 76.0 2.8 77.0 13.4 78.0 4.6 79.0 7.8 79.5 1.1 80.0 1.5 81.0 1.1 86.0 3.0 87.0 3.7 88.0 1.0 89.0 2.8 91.0 42.6 92.0 4.1 93.0 1.9 93.5 1.1 94.0 1.0 96.0 1.0 101.0 1.0 102.0 2.5 103.0 6.1 104.0 2.8 105.0 24.9 106.0 2.4 107.0 1.0 115.0 21.0 116.0 8.6 117.0 39.5 118.0 5.5 119.0 14.1 120.0 1.6 123.0 1.2 125.0 1.2 127.0 6.2 128.0 19.7 129.0 17.3 130.0 8.0 131.0 20.7 132.0 3.5 133.0 12.0 134.0 1.9 135.0 2.2 137.0 4.5 139.0 2.5 141.0 8.4 142.0 5.8 143.0 8.7 144.0 3.7 145.0 26.8 146.0 4.7 147.0 7.2 148.0 1.5 149.0 10.6 150.0 1.6 151.0 6.0 152.0 2.1 153.0 3.0 154.0 1.2 155.0 2.5 156.0 1.9 157.0 3.5 158.0 1.7 159.0 38.2 160.0 7.5 161.0 48.2 162.0 7.0 163.0 1.4 165.0 2.1 167.0 3.6 169.0 1.4 171.0 2.1 172.0 1.0 173.0 10.4 174.0 2.5 175.0 61.9 176.0 9.9 177.0 2.0 179.0 2.6 181.0 2.5 183.0 1.0 185.0 1.2 187.0 78.0 188.0 14.5 189.0 100.0 190.0 15.1 191.0 3.0 193.0 2.5 195.0 19.0 196.0 2.7 197.0 6.6 198.0 1.0 201.0 2.1 202.0 38.7 203.0 19.1 204.0 32.3 205.0 7.0 207.0 1.1 209.0 1.8 210.0 1.8 211.0 1.0 217.0 6.7 218.0 7.4 219.0 2.8 221.0 16.1 222.0 2.9 223.0 66.1 224.0 10.8 225.0 22.1 226.0 3.5 231.0 1.5 232.0 6.9 233.0 2.8 234.0 2.1 235.0 2.2 236.0 11.3 237.0 2.6 238.0 25.4 239.0 5.9 240.0 8.4 241.0 3.2 249.0 3.7 251.0 17.1 252.0 3.3 253.0 1.7 266.0 6.1 267.0 72.1 268.0 12.4 269.0 16.6 270.0 2.5 282.0 6.3 283.0 2.1 284.0 6.2 285.0 1.0 298.0 1.1 302.0 1.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C15 H23 Cl O2 S 0.051 g : 0.5 ml CDCl3 2,4,6-triisopropylbenzenesulfonyl chloride 
Assign. Shift(ppm)
A 7.227 B 4.239 C 2.94 D 1.315 E 1.273
Hz ppm Int.647.25 7.228 244 386.69 4.318 51 379.94 4.243 71 373.25 4.168 55 366.63 4.094 23 263.25 2.940 26 256.38 2.863 22 121.00 1.352 1000 117.19 1.309 547 114.31 1.277 951 110.31 1.232 470
in CDCl3
CCl4 solution
KBr disc
nujol mull
