产品名称:环己烯巴比妥
CAS:52-31-3
分子式:C12H16N2O3
分子量: 236.27
InChI:InChI=1S/C12H16N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h6H,2-5,7H2,1H3,(H2,13,14,15,16,17)
InChIKey: WTYGAUXICFETTC-UHFFFAOYSA-N
Smiles:C1(=O)NC(=O)C(C2CCCCC=2)(CC)C(=O)N1
1HNMR
13CNMR
IR1
Assign. Shift(ppm) A 9.62 B 5.825 C 2.213 D 2.08 E 2.00 F 1.606 G 1.536 J 0.877
ppm Int. Assign. 171.52 1000 1 149.85 565 2 134.11 690 3 127.19 709 4 62.81 685 5 26.89 446 6 25.58 664 7 * 25.43 755 8 * 22.72 669 9 # 21.52 659 10 # 9.64 593 11
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环己烯巴比妥(52-31-3)核磁图(13CNMR)相关产品图谱