1,3-dimethyl-2,4-(1H,3H)-quinazolinedione(1013-01-0) 1H NMR
Product Name1,3-dimethyl-2,4-(1H,3H)-quinazolinedione
CAS1013-01-0
Molecular FormulaC10H10N2O2
Molecular Weight190.2
InChIInChI=1S/C10H10N2O2/c1-11-8-6-4-3-5-7(8)9(13)12(2)10(11)14/h3-6H,1-2H3
InChIKey DHSVUPZSHZKQDA-UHFFFAOYSA-N
SmilesN1(C)C2=C(C=CC=C2)C(=O)N(C)C1=O
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MassMS-IW-7334 1,3-dimethyl-2,4(1H,3H)-quinazolinedione C10H10N2O2 (Mass of molecular ion: 190)
Source Temperature: 150 °C Sample Temperature: 130 °C Direct, 75 eV
28.0 1.5 39.0 1.7 50.0 2.0 51.0 3.8 51.5 1.2 52.0 1.1 63.0 3.2 64.0 3.2 66.5 1.1 75.0 1.0 76.0 2.0 77.0 10.3 78.0 9.3 79.0 1.1 90.0 2.5 92.0 3.4 95.0 1.3 104.0 32.6 105.0 57.3 106.0 5.0 132.0 5.9 133.0 28.1 134.0 3.7 161.0 2.1 162.0 7.8 175.0 1.7 176.0 1.0 190.0 100.0 191.0 11.9 192.0 1.0
parameter in DMSO-d6
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1H NMR 300 MHz C10 H10 N2 O2 in DMSO-d6 1,3-dimethyl-2,4(1H,3H)-quinazolinedione 
Parameter ppm Hz
D(A) 7.98 D(B) 7.23 D(C) 7.71 D(D) 7.34 J(A,B) 7.7 J(A,C) 1.7 J(A,D) 0.0 J(B,C) 7.2 J(B,D) 1.2 J(C,D) 8.2 D(E) 4.55 D(F) 3.27 KHALIFE-EL-SALEH,M. ET AL. BULL.SOC.CHIM.FR. 1974, 1667
Hz ppm Int.2398.77 7.996 86 2397.11 7.990 89 2391.08 7.970 92 2389.42 7.965 96 2321.77 7.739 41 2320.11 7.734 40 2314.56 7.715 55 2313.51 7.712 70 2311.94 7.706 55 2306.39 7.688 53 2304.73 7.682 51 2206.57 7.355 100 2205.39 7.351 107 2198.36 7.328 88 2197.18 7.324 91 2176.86 7.256 55 2175.72 7.252 52 2169.30 7.231 85 2168.42 7.228 82 2162.00 7.207 46 2160.82 7.203 44 1365.02 4.550 1000 981.02 3.270 1000
KBr disc
nujol mull
