HEXOBARBITAL(56-29-1) IR1
Product NameHEXOBARBITAL
CAS56-29-1
Molecular FormulaC12H16N2O3
Molecular Weight236.27
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)
InChIKey UYXAWHWODHRRMR-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 1.58Spectral 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 12Spectral 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