DIHYDROTHYMINE(696-04-8) 1H NMR
Product NameDIHYDROTHYMINE
CAS696-04-8
Molecular FormulaC5H8N2O2
Molecular Weight128.13
InChIInChI=1S/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9)
InChIKey NBAKTGXDIBVZOO-UHFFFAOYSA-N
SmilesC1(=O)NCC(C)C(=O)N1
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C5 H8 N2 O2 0.037 g : 0.5 ml DMSO-d6 5-methyl-5,6-dihydro-2,4(1H,3H)-pyrimidinedione 
Assign. Shift(ppm)
A *1 9.9 B *1 7.5 C *2 3.246 D *2 2.951 E 2.538 F 1.055 SIGNAL E OVELAPPED BY SOLVENT PEAKS
Hz ppm Int.3963.01 9.917 150 3002.01 7.512 133 3001.56 7.511 133 1309.05 3.276 78 1305.08 3.266 88 1302.80 3.260 90 1298.83 3.250 102 1296.69 3.245 109 1292.72 3.235 106 1290.59 3.230 106 1286.62 3.220 96 1191.56 2.982 106 1190.34 2.979 100 1180.57 2.955 141 1179.35 2.951 194 1168.52 2.924 100 1167.14 2.921 95 1026.76 2.570 78 1022.80 2.560 38 1020.36 2.554 110 1015.93 2.543 92 1013.49 2.536 98 1009.06 2.525 111 1007.54 2.522 76 1005.86 2.517 111 1003.88 2.512 140 1002.66 2.509 140 425.11 1.064 1000 418.09 1.047 949
in DMSO-d6
KBr disc
nujol mull
