Auramine O(2465-27-2) MS
Product NameAuramine O
CAS2465-27-2
Molecular FormulaC17H22ClN3
Molecular Weight303.83
InChIInChI=1S/C17H21N3.ClH/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4;/h5-12,18H,1-4H3;1H
InChIKey KSCQDDRPFHTIRL-UHFFFAOYSA-N
SmilesC(=N)(C1=CC=C(N(C)C)C=C1)C1=CC=C(N(C)C)C=C1.Cl
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MassMS-NW-6326 auramine C17H21N3 HCl H2O (Mass of molecular ion: 267)
Source Temperature: 180 °C Sample Temperature: 130 °C Direct, 75 eV
15.0 1.4 16.0 1.7 17.0 5.6 18.0 24.3 27.0 1.6 28.0 2.3 31.0 2.1 32.0 1.4 35.0 1.5 36.0 11.8 38.0 4.2 39.0 1.4 42.0 5.3 43.0 3.8 44.0 11.5 50.0 1.4 51.0 2.5 52.0 1.0 59.0 3.3 60.0 15.4 63.0 1.8 64.0 1.0 65.0 1.7 74.5 1.0 75.5 3.2 76.5 7.4 77.0 1.0 77.5 2.3 78.0 2.9 89.5 1.7 91.0 2.5 92.0 1.4 102.0 1.7 103.0 6.0 103.5 1.2 104.0 5.4 105.0 5.4 106.0 2.0 111.0 5.2 111.5 1.6 112.0 1.6 112.5 1.3 113.0 2.5 117.0 1.2 117.5 1.2 118.0 2.6 119.0 7.7 119.5 6.0 120.0 21.0 120.5 3.2 121.0 2.2 124.5 3.5 125.0 2.0 125.5 2.3 126.0 1.2 129.0 2.0 130.0 1.0 131.0 6.8 132.0 2.6 132.5 12.2 133.0 4.8 133.5 3.3 134.0 1.1 145.0 3.7 146.0 1.7 147.0 10.8 148.0 2.3 152.0 1.4 167.0 1.1 178.0 1.1 179.0 2.1 180.0 2.0 194.0 1.2 195.0 1.0 196.0 1.0 206.0 1.2 207.0 6.6 208.0 3.4 209.0 4.9 210.0 1.6 221.0 1.8 222.0 3.4 223.0 58.6 224.0 12.1 225.0 2.8 234.0 2.3 235.0 3.6 236.0 4.6 237.0 4.3 238.0 2.3 239.0 1.2 250.0 16.1 251.0 17.6 252.0 17.5 253.0 12.9 254.0 2.8 265.0 1.3 266.0 76.2 267.0 100.0 268.0 19.4 269.0 2.5
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C17 H21 N3 0.038 g : 0.5 ml DMSO-d6 auramine 
Assign. Shift(ppm)
A 7.584 B 6.867 C 3.098
Hz ppm Int.3035.74 7.596 157 3026.58 7.574 170 3023.53 7.566 31 2748.87 6.879 166 2739.72 6.856 159 1238.40 3.099 1000
in DMSO-d6
KBr disc
nujol mull
