Amobarbital(57-43-2) IR1
Product NameAmobarbital
CAS57-43-2
Molecular FormulaC11H18N2O3
Molecular Weight226.27
InChIInChI=1S/C11H18N2O3/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
InChIKey VIROVYVQCGLCII-UHFFFAOYSA-N
SmilesC1(=O)NC(=O)C(CC)(CCC(C)C)C(=O)N1
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Assign. Shift(ppm)
A 11.5 B 1.835 C 1.79 D 1.426 E 0.97 F 0.810 G 0.749Spectral Code: 1H NMR : 400 MHz in DMSO-d6
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ppm Int. Assign.
173.04 1000 1 149.79 458 2 55.63 443 3 35.85 209 4 33.36 254 5 * 31.70 209 6 * 27.49 388 7 22.09 796 8 9.04 328 9Spectral 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