1,1'-(Naphthalene-1,8-diyl)bis(1H-1,2,3-triazole-4,5-dicarboxylic acid diethyl) ester
Product Name
1,1'-(Naphthalene-1,8-diyl)bis(1H-1,2,3-triazole-4,5-dicarboxylic acid diethyl) ester
CAS91165-62-7
MFC26H26N6O8
MW550.52
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
InChIKeyHJVVMCWGYRNCKI-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
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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.
Spectral Code: 1H NMR : 400 MHz in CDCl3
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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
Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : KBr disc
1,1'-(Naphthalene-1,8-diyl)bis(1H-1,2,3-triazole-4,5-dicarboxylic acid diethyl) ester(91165-62-7)1HNMR Atlas of Related Products