Product Name[1,1'-(Naphthalene-1,8-diyl)bis(1H-1,2,3-triazole)]-4,5'-dicarboxylic acid diethyl ester
CAS91165-68-3
Molecular FormulaC20H18N6O4
Molecular Weight406.39
InChIInChI=1S/C20H18N6O4/c1-3-29-19(27)14-12-25(24-22-14)15-9-5-7-13-8-6-10-16(18(13)15)26-17(11-21-23-26)20(28)30-4-2/h5-12H,3-4H2,1-2H3
InChIKey NUGPYUSLSBILFG-UHFFFAOYSA-N
SmilesN1(C2=C3C(C=CC=C3N3C(C(OCC)=O)=CN=N3)=CC=C2)C=C(C(OCC)=O)N=N1
Assign. Shift(ppm)
A *1 8.26 B *1 8.25 C *2 7.883 D *2 7.858 E *3 7.74 F *3 7.71 G *4 7.50 J *4 7.49 K 4.441 L 4.175 M 1.422 N 1.157 J(G,E)=J(F,J)=7.3HZ. J(A,G)=J(B,J)=1.2HZ. J(A,E)=J(B,F)=8.3HZ. J(L,N)=J(K,M)=7.2HZ.
ppm Int. Assign.
160.03 269 1 157.02 273 2 139.94 335 3 137.17 901 4 135.32 458 5 132.38 818 6 * 132.01 924 7 * 131.16 364 8 9 # 130.82 313 10 # 130.11 869 11 129.70 923 12 *1 129.38 848 13 *1 126.27 914 14 #1 126.03 888 15 #1 124.25 218 16 61.91 904 17 61.32 1000 18 14.35 803 19 13.79 920 20
[1,1'-(Naphthalene-1,8-diyl)bis(1H-1,2,3-triazole)]-4,5'-dicarboxylic acid diethyl ester(91165-68-3) IR1 Atlas of Related Products
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