产品名称 环已巴比妥
CAS号56-29-1
分子式C12H16N2O3
分子量236.27
InChIInChI=1S/C12H16N2O3/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16/h6H,3-5,7H2,1-2H3,(H,13,15,17)
InChIKeyUYXAWHWODHRRMR-UHFFFAOYSA-N
SmilesC1(=O)N(C)C(=O)C(C2CCCCC=2)(C)C(=O)N1
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Assign. Shift(ppm) A 9.02 B 5.746 C 3.294 D *1 2.07 E *1 1.93 F 1.615 G 1.58
ppm Int. Assign. 171.83 855 1 * 171.18 790 2 * 150.66 795 3 134.79 970 4 126.38 945 5 57.41 1000 6 28.15 485 7 25.49 785 8 # 25.04 800 9 # 22.71 830 10 # 21.51 715 11 # 19.58 525 12
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