Crystalloiodinine B
Product Name
Crystalloiodinine B
CAS13398-79-3
MFC14H12N2O2
MW240.26
InChIInChI=1S/C14H12N2O2/c1-17-11-7-3-5-9-13(11)15-10-6-4-8-12(18-2)14(10)16-9/h3-8H,1-2H3
InChIKeySFNYAHCOEPIPGO-UHFFFAOYSA-N
SmilesC1(OC)C2C(=NC3C(N=2)=CC=CC=3OC)C=CC=1
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Parameter ppm Hz
D(A) 7.80
D(B) 7.81
D(C) 7.25
D(D) 4.12
J(A,B) 8.54
J(A,C) 1.37
J(A,D) 0.0
J(B,C) 7.49
J(B,D) 0.0
J(C,D) 0.3
ROEMER,A. ORG.MAGN.RESON. 19, 66 (1982)
Spectral Code: 1H NMR : parameter in acetone-d6
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Spectral Code: IR : KBr disc
