Molecular FormulaC12H13BrN2OS
Molecular Weight
InChIInChI=1S/C12H13BrN2OS/c1-12(2)10(16)15(11(14-12)17-3)9-7-5-4-6-8(9)13/h4-7H,1-3H3
InChIKey RCFFQOXEPVIUBI-UHFFFAOYSA-N
SmilesC1(SC)N(C2=CC=CC=C2Br)C(=O)C(C)(C)N=1
Parameter ppm Hz
D(A) 7.712 D(B) 7.351 D(C) 7.430 D(D) 7.302 J(A,B) 8.0 J(A,C) 1.3 J(A,D) 0.5 J(B,C) 7.7 J(B,D) 1.6 J(C,D) 7.9 D(E) *1 1.483 D(F) *1 1.511 D(G) 2.513 NAVARRE,J.-M. ET AL. ORG.MAGN.RESON. 14, 410 (1980)
1-(2-Bromophenyl)-4,4-dimethyl-2-(methylthio)-2-imidazolin-5-one(77893-64-2) 1H NMR Atlas of Related Products
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