1,1'-(Naphthalene-1,8-diyl)bis(1H-1,2,3-triazole-4-carboxylic acid ethyl) ester
Product Name
1,1'-(Naphthalene-1,8-diyl)bis(1H-1,2,3-triazole-4-carboxylic acid ethyl) ester
CAS91165-66-1
MF
MW
InChIInChI=1S/C18H14N6O4/c1-2-28-18(27)13-10-24(22-20-13)15-8-4-6-11-5-3-7-14(16(11)15)23-9-12(17(25)26)19-21-23/h3-10H,2H2,1H3,(H,25,26)
InChIKeyIHXTUOLFOUQPIO-UHFFFAOYSA-N
SmilesC1(N2C=C(C(OCC)=O)N=N2)=C2C(C=CC=C2N2C=C(C(O)=O)N=N2)=CC=C1
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Assign. Shift(ppm)
A 8.269
B 8.029
C 7.753
D 7.573
E 4.427
F 1.426
J(A,C)=8.6HZ. J(A,D)=1.1HZ. J(C,D)=7.3HZ. J(E,F)=7.1HZ.
Spectral Code: 1H NMR : 400 MHz in CDCl3
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ppm Int. Assign.
159.84 435 1
140.18 569 2
135.78 315 3
132.28 774 4
130.84 469 5
129.85 839 6 *
129.21 912 7 *
126.44 936 8
123.62 248 9
61.37 1000 10
14.30 842 11
Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : KBr disc