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METHYL 5-AMINO-1-BENZOTHIOPHENE-2-CARBOXYLATE(20699-85-8) 1H NMR
Product NameMETHYL 5-AMINO-1-BENZOTHIOPHENE-2-CARBOXYLATE
CAS20699-85-8
Molecular FormulaC10H9NO2S
Molecular Weight207.25
InChIInChI=1S/C10H9NO2S/c1-13-10(12)9-5-6-4-7(11)2-3-8(6)14-9/h2-5H,11H2,1H3
InChIKey SIMBULBEQVHFPK-UHFFFAOYSA-N
SmilesC12=CC=C(N)C=C1C=C(C(OC)=O)S2
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Parameter ppm Hz
D(A) 7.84 D(B) 7.08 D(C) 6.87 D(D) 7.59 J(A,B) 0.0 J(A,C) 0.0 J(A,D) 0.60 J(B,C) 2.4 J(B,D) 0.60 J(C,D) 8.8 D(E) 3.89 D(F) 3.61 CADDY,B. ET AL. AUST.J.CHEM. 21, 1853 (1968) J(A,B):NOT EQUAL TO 0.Spectral Code: 1H NMR : parameter in CDCl3
