2-AMINO-5-(4-NITROPHENYLSULFONYL)THIAZOLE(39565-05-4) MS
Product Name2-AMINO-5-(4-NITROPHENYLSULFONYL)THIAZOLE
CAS39565-05-4
Molecular FormulaC9H7N3O4S2
Molecular Weight285.3
InChIInChI=1S/C9H7N3O4S2/c10-9-11-5-8(17-9)18(15,16)7-3-1-6(2-4-7)12(13)14/h1-5H,(H2,10,11)
InChIKey GKTKCGAOXFHFTD-UHFFFAOYSA-N
SmilesS1C(S(C2=CC=C([N+]([O-])=O)C=C2)(=O)=O)=CN=C1N
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MassMS-NW-6275 2-amino-5-(p-nitrophenylsulfonyl)thiazole C9H7N3O4S2 (Mass of molecular ion: 285)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
17.0 1.2 18.0 4.3 27.0 1.2 28.0 9.8 30.0 3.5 38.0 1.7 39.0 2.3 43.0 1.3 44.0 2.0 45.0 9.0 50.0 14.0 51.0 2.5 53.0 1.1 54.0 1.0 55.0 27.5 56.0 1.0 57.0 25.5 58.0 1.7 59.0 2.0 60.0 9.2 61.0 1.0 62.0 1.9 63.0 3.6 64.0 2.5 69.0 2.0 70.0 2.5 71.0 8.7 72.0 15.4 73.0 1.7 74.0 5.0 75.0 8.2 76.0 9.2 77.0 1.7 82.0 1.2 89.0 2.5 92.0 1.8 98.0 5.9 99.0 100.0 100.0 6.9 101.0 5.6 104.0 1.1 115.0 6.2 121.0 1.3 122.0 1.6 133.0 1.6 147.0 1.5 163.0 1.6 175.0 2.7 179.0 1.2 191.0 1.6 221.0 2.8 253.0 2.0 285.0 74.5 286.0 10.5 287.0 8.3 288.0 1.4
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C9 H7 N3 O4 S2 0.040 g : 0.5 ml DMSO-d6 2-amino-5-(p-nitrophenylsulfonyl)thiazole 
Assign. Shift(ppm)
A 8.432 B 8.31 C 8.182 D 7.836
Hz ppm Int.3385.25 8.471 21 3374.76 8.445 676 3365.97 8.423 801 3319.21 8.306 731 3306.15 8.273 29 3305.91 8.273 29 3304.44 8.269 23 3304.08 8.268 22 3297.00 8.250 21 3286.74 8.225 25 3284.91 8.220 27 3274.17 8.193 802 3265.38 8.171 683 3140.87 7.860 26 3139.77 7.857 25 3131.84 7.837 1000 3125.73 7.822 37
in DMSO-d6
KBr disc
nujol mull
