Deferiprone(30652-11-0) MS
Product NameDeferiprone
CAS30652-11-0
Molecular FormulaC7H9NO2
Molecular Weight139.15
InChIInChI=1S/C7H9NO2/c1-5-7(10)6(9)3-4-8(5)2/h3-4,10H,1-2H3
InChIKey TZXKOCQBRNJULO-UHFFFAOYSA-N
SmilesC1(C)N(C)C=CC(=O)C=1O
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MassMS-KW-0422 3-hydroxy-1,2-dimethyl-4(1H)-pyridone C7H9NO2 (Mass of molecular ion: 139)
Source Temperature: 170 °C Sample Temperature: 130 °C Direct, 75 eV
15.0 2.6 18.0 4.0 26.0 2.7 27.0 3.8 28.0 4.9 29.0 1.6 39.0 2.5 40.0 1.5 41.0 4.7 42.0 16.8 43.0 2.5 51.0 1.1 52.0 3.4 53.0 3.1 54.0 3.1 55.0 6.6 56.0 4.4 66.0 2.6 67.0 2.5 68.0 2.0 69.0 2.6 69.5 5.8 70.0 1.7 78.0 1.1 80.0 2.2 82.0 2.9 83.0 1.0 84.0 1.9 93.0 2.0 94.0 3.2 96.0 2.2 97.0 2.2 110.0 29.7 111.0 9.5 124.0 3.0 136.0 1.1 138.0 5.9 139.0 100.0 140.0 8.8
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7H9NO2 saturated in DMSO-d6 3-hydroxy-1,2-dimethyl-4(1H)-pyridone 
Assign. Shift(ppm)
A 7.544 B 6.075 C 3.7 D 3.620 E 2.259 signal C includes H2O
Hz ppm Int.3019.54 7.553 146 3012.21 7.535 152 2432.01 6.084 183 2424.81 6.066 181 1479.62 3.702 300 1447.03 3.620 944 902.84 2.259 1000
in DMSO-d6
