Product Namealpha-carboline
CAS244-76-8
Molecular FormulaC11H8N2
Molecular Weight168.19
InChIInChI=1S/C11H8N2/c1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10/h1-7H,(H,12,13)
InChIKey BPMFPOGUJAAYHL-UHFFFAOYSA-N
SmilesN1C2=C(C=CC=C2)C2=CC=CN=C12
Parameter ppm Hz
D(A) 8.434 D(B) 7.203 D(C) 8.490 J(A,B) 4.85 J(A,C) 1.69 J(B,C) 7.69 D(D) 8.163 D(E) 7.236 D(F) 7.471 D(G) 7.538 J(D,E) 7.86 J(D,F) 1.18 J(D,G) 0.77 J(E,F) 7.23 J(E,G) 0.99 J(F,G) 8.18 D(H) 11.78 BALKAU,F. & HEFFERNAN,M.L. AUST.J.CHEM. 26, 1501 (1973) H(C),H(D) & H(H):BROAD. J(C,H) & J(D,H):NOT RESOLVED.
alpha-carboline(244-76-8) 1H NMR Atlas of Related Products
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