产品名称:2,4,6-三异丙基苯磺酰氯
CAS:6553-96-4
分子式:C15H23ClO2S
分子量: 302.86
InChI:InChI=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
Smiles:C1(S(Cl)(=O)=O)=C(C(C)C)C=C(C(C)C)C=C1C(C)C
MS
1HNMR
13CNMR
IR1
IR2
IR3
Raman
Mass
MS-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
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
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2,4,6-三异丙基苯磺酰氯(6553-96-4)红外图谱(IR3)相关产品图谱