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1-methylquinazoline-2,4(1H,3H)-dione(604-50-2) 1H NMR
Product Name1-methylquinazoline-2,4(1H,3H)-dione
CAS604-50-2
Molecular FormulaC9H8N2O2
Molecular Weight176.17
InChIInChI=1S/C9H8N2O2/c1-11-7-5-3-2-4-6(7)8(12)10-9(11)13/h2-5H,1H3,(H,10,12,13)
InChIKey RWFOOMQYIRITHL-UHFFFAOYSA-N
SmilesN1(C)C2=C(C=CC=C2)C(=O)NC1=O
parameter in DMSO-d6
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1H NMR 300 MHz C9 H8 N2 O2 in DMSO-d6 1-methyl-2,4(1H,3H)-quinazolinedione 
Parameter ppm Hz
D(A) 8.00 D(B) 7.26 D(C) 7.76 D(D) 7.40 J(A,B) 7.2 J(A,C) 1.5 J(A,D) 0.0 J(B,C) 7.0 J(B,D) 1.0 J(C,D) 8.2 D(E) 11.30 D(F) 3.45 KHALIFE-EL-SALEH,M. ET AL. BULL.SOC.CHIM.FR. 1974, 1667
Hz ppm Int.3389.99 11.300 333 2404.43 8.015 88 2402.98 8.010 91 2397.19 7.991 95 2395.81 7.986 98 2336.60 7.789 42 2335.15 7.784 41 2329.58 7.765 54 2328.28 7.761 87 2326.97 7.757 56 2321.40 7.738 54 2319.95 7.733 52 2224.47 7.415 107 2223.53 7.412 111 2216.22 7.387 92 2215.35 7.384 94 2185.46 7.285 56 2184.51 7.282 55 2178.36 7.261 101 2177.42 7.258 98 2171.27 7.238 48 2170.33 7.234 47 1035.00 3.450 1000
