ALLOBARBITAL(52-43-7) Raman
Product NameALLOBARBITAL
CAS52-43-7
Molecular FormulaC10H12N2O3
Molecular Weight208.21
InChIInChI=1S/C10H12N2O3/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-4H,1-2,5-6H2,(H2,11,12,13,14,15)
InChIKey FDQGNLOWMMVRQL-UHFFFAOYSA-N
SmilesC1(=O)NC(=O)C(CC=C)(CC=C)C(=O)N1
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Assign. Shift(ppm)
A 11.52 B 5.567 C 5.10 D 5.08 E 2.562 J(B,C)=10.3HZ J(B,D)=16.9HZ J(B,E)=7.3HZSpectral Code: 1H NMR : 400 MHz in DMSO-d6
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ppm Int. Assign.
171.81 582 1 149.57 401 2 131.25 1000 3 119.91 934 4 54.97 484 5 41.38 896 6Spectral Code: 13C NMR : in DMSO-d6
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Spectral Code: IR : KBr disc
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Spectral Code: Raman : 4880 A,200 M,powder