TPCK(402-71-1) IR1
Molecular FormulaC17H18ClNO3S
Molecular Weight351.85
InChIInChI=1S/C17H18ClNO3S/c1-13-7-9-15(10-8-13)23(21,22)19-16(17(20)12-18)11-14-5-3-2-4-6-14/h2-10,16,19H,11-12H2,1H3/t16-/m0/s1
InChIKey MQUQNUAYKLCRME-INIZCTEOSA-N
SmilesC1(S(N[C@@H](CC2=CC=CC=C2)C(=O)CCl)(=O)=O)=CC=C(C)C=C1
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MassMS-IW-1178 (S)-N-(1-benzyl-3-chloro-2-oxopropyl)-p-toluenesulfonamide C17H18ClNO3S (Mass of molecular ion: 351)
Source Temperature: 190 °C Sample Temperature: 180 °C Direct, 75 eV
28.0 1.6 39.0 2.5 43.0 2.8 51.0 1.3 63.0 1.5 65.0 7.9 77.0 1.3 89.0 2.4 90.0 2.0 91.0 42.6 92.0 5.9 116.0 1.6 117.0 1.9 118.0 7.4 119.0 6.2 120.0 1.2 132.0 2.6 134.0 1.3 139.0 2.7 155.0 59.6 156.0 5.4 157.0 3.4 159.0 2.5 160.0 1.9 260.0 3.2 262.0 1.1 274.0 100.0 275.0 17.8 276.0 6.2 315.0 1.9
KBr disc
nujol mull
