SULFISOMIDINE(515-64-0) 13C NMR
Product NameSULFISOMIDINE
CAS515-64-0
Molecular FormulaC12H14N4O2S
Molecular Weight278.33
InChIInChI=1S/C12H14N4O2S/c1-8-7-12(15-9(2)14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)
InChIKey YZMCKZRAOLZXAZ-UHFFFAOYSA-N
SmilesC1(S(NC2C=C(C)N=C(C)N=2)(=O)=O)=CC=C(N)C=C1
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MassMS-NW-9488 N(1)-(2,6-dimethyl-4-pyrimidinyl)sulfanilamide C12H14N4O2S (Mass of molecular ion: 278)
Source Temperature: 250 °C Sample Temperature: 150 °C Direct, 75 eV
18.0 1.5 28.0 2.2 39.0 4.9 40.0 1.6 41.0 2.3 42.0 6.4 52.0 1.3 53.0 1.0 54.0 2.4 63.0 1.4 64.0 2.0 65.0 21.8 66.0 5.3 67.0 1.0 80.0 1.4 81.0 1.1 91.0 1.8 92.0 31.1 93.0 3.1 96.0 1.8 106.0 1.2 107.0 5.7 108.0 25.7 109.0 2.1 123.0 2.1 132.0 1.9 133.0 3.3 140.0 2.3 156.0 5.7 157.0 1.1 172.0 2.3 173.0 1.5 199.0 1.8 213.0 62.1 214.0 100.0 215.0 13.9 278.0 1.9 279.0 1.1
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C12 H14 N4 O2 S 0.038 g : 0.5 ml DMSO-d6 N(1)-(2,6-dimethyl-4-pyrimidinyl)sulfanilamide 
Assign. Shift(ppm)
A 7.577 B 6.75 C 6.599 D 5.98 F *1 2.363 G *1 2.263
Hz ppm Int.3032.59 7.589 269 3023.93 7.567 290 2695.92 6.746 103 2644.29 6.617 51 2641.60 6.610 354 2639.89 6.606 125 2634.77 6.593 117 2632.93 6.589 348 2630.25 6.582 56 2390.63 5.982 78 944.34 2.363 1000 935.67 2.342 25 935.18 2.340 25 933.96 2.337 27 904.66 2.264 934 894.29 2.238 27
in DMSO-d6
KBr disc
nujol mull
