Product Name1,1'-(Naphthalene-1,8-diyl)bis(1H-1,2,3-triazole-4,5-dicarboxylic acid diethyl) ester
CAS91165-62-7
Molecular FormulaC26H26N6O8
Molecular Weight550.52
InChIInChI=1S/C26H26N6O8/c1-5-37-23(33)19-21(25(35)39-7-3)31(29-27-19)16-13-9-11-15-12-10-14-17(18(15)16)32-22(26(36)40-8-4)20(28-30-32)24(34)38-6-2/h9-14H,5-8H2,1-4H3
InChIKey HJVVMCWGYRNCKI-UHFFFAOYSA-N
SmilesC1(N2C(C(OCC)=O)=C(C(OCC)=O)N=N2)=C2C(C=CC=C2N2C(C(OCC)=O)=C(C(OCC)=O)N=N2)=CC=C1
Assign. Shift(ppm)
A 8.251 B 7.709 C 7.462 D *1 4.46 E *1 4.45 F 4.191 G 1.445 J 1.082 J(A,B)=8.4HZ. J(B,C)=7.3HZ. J(F,J)=7.0HZ. J(D,G)=J(E,G)=7.2HZ.
ppm Int. Assign.
159.79 147 1 156.90 107 2 140.28 64 3 135.27 182 4 132.42 760 5 131.77 71 6 130.45 202 7 129.94 491 8 125.98 895 9 124.91 64 10 62.49 1000 11 61.88 798 12 14.18 964 13 13.52 756 14
1,1'-(Naphthalene-1,8-diyl)bis(1H-1,2,3-triazole-4,5-dicarboxylic acid diethyl) ester(91165-62-7) IR1 Atlas of Related Products
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