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115-38-8

甲基苯巴比妥(115-38-8)核磁图(1HNMR)

产品名称:甲基苯巴比妥

CAS:115-38-8

分子式:C13H14N2O3

分子量: 246.26

InChI:InChI=1S/C13H14N2O3/c1-3-13(9-7-5-4-6-8-9)10(16)14-12(18)15(2)11(13)17/h4-8H,3H2,1-2H3,(H,14,16,18)

InChIKey: ALARQZQTBTVLJV-UHFFFAOYSA-N

Smiles:C1(=O)N(C)C(=O)C(CC)(C2=CC=CC=C2)C(=O)N1

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        Assign.     Shift(ppm)
    A 11.93 B 7.38 C 7.35 D 7.31 E 3.194 F *1 2.35 G *1 2.32 J 0.859 J(F,G)=-13.2Hz J(E,J)=J(F,J)=7.2Hz
    Spectral Code: 1H NMR : 400 MHz in DMSO-d6

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           ppm   Int.  Assign.
    170.87 279 1 * 170.28 468 2 * 150.08 388 3 138.48 398 4 128.92 1000 5 128.12 378 6 126.11 955 7 60.33 433 8 29.10 209 9 27.64 179 10 9.60 299 11
    Spectral Code: 13C NMR : in DMSO-d6

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    Spectral Code: IR : nujol mull

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    Spectral Code: Raman : 4880 A,200 M,powder

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