Sulfadimethoxine(122-11-2) 1H NMR
Product NameSulfadimethoxine
CAS122-11-2
Molecular FormulaC12H14N4O4S
Molecular Weight310.33
InChIInChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)
InChIKey ZZORFUFYDOWNEF-UHFFFAOYSA-N
SmilesC1(S(NC2C=C(OC)N=C(OC)N=2)(=O)=O)=CC=C(N)C=C1
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MassMS-NW-9490 N-(2,6-dimethoxy-4-pyrimidinyl)sulfanilamide C12H14N4O4S (Mass of molecular ion: 310)
Source Temperature: 230 °C Sample Temperature: 160 °C Direct, 75 eV
15.0 1.9 18.0 1.0 28.0 1.7 39.0 3.1 41.0 1.3 42.0 1.1 54.0 1.0 58.0 2.3 63.0 1.2 64.0 1.7 65.0 18.6 66.0 2.7 67.0 1.4 68.0 1.2 69.0 1.2 72.0 1.4 80.0 1.3 82.0 1.9 91.0 1.5 92.0 27.1 93.0 3.4 106.0 1.8 107.0 1.4 108.0 14.4 109.0 1.3 113.0 1.1 119.0 1.0 123.0 1.2 125.0 2.0 128.0 1.2 131.0 5.5 132.0 2.3 133.0 1.5 134.0 2.6 140.0 2.9 146.0 1.8 154.0 3.4 155.0 1.2 156.0 5.6 157.0 3.2 158.0 1.5 172.0 1.7 173.0 7.4 174.0 2.4 204.0 1.2 214.0 1.0 215.0 1.9 216.0 1.7 217.0 1.1 230.0 4.5 231.0 2.6 245.0 53.1 246.0 100.0 247.0 14.3 248.0 1.3 311.0 1.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C12 H14 N4 O4 S 0.035 g : 0.5 ml DMSO-d6 N-(2,6-dimethoxy-4-pyrimidinyl)sulfanilamide 
Assign. Shift(ppm)
A 11.1 B 7.587 C 6.625 D 6.12 E 5.960 F *1 3.804 G *1 3.802
Hz ppm Int.3039.46 7.606 23 3036.90 7.599 186 3035.07 7.595 66 3029.94 7.582 62 3027.93 7.577 207 3025.36 7.571 30 2655.00 6.644 26 2652.25 6.637 199 2650.42 6.632 69 2645.47 6.620 61 2643.46 6.615 203 2640.71 6.608 29 2446.19 6.121 106 2382.08 5.961 363 1520.28 3.805 1000 1519.73 3.803 1000
in DMSO-d6
KBr disc
nujol mull
