环已巴比妥(56-29-1)核磁图(1HNMR)
分子式:C12H16N2O3
分子量: 236.27
InChI:InChI=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)
InChIKey: UYXAWHWODHRRMR-UHFFFAOYSA-N
Smiles:C1(=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
Spectral Code: 1H NMR : 90 MHz in CDCl3
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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
Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : KBr disc
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Spectral Code: Raman : 4880 A,200 M,powder