1,1'-(Naphthalene-1,8-diyl)bis(1H-1,2,3-triazole-4,5-dicarboxylic acid dimethyl) ester
Product Name
1,1'-(Naphthalene-1,8-diyl)bis(1H-1,2,3-triazole-4,5-dicarboxylic acid dimethyl) ester
CAS91165-61-6
MFC22H18N6O8
MW494.41
InChIInChI=1S/C22H18N6O8/c1-33-19(29)15-17(21(31)35-3)27(25-23-15)12-9-5-7-11-8-6-10-13(14(11)12)28-18(22(32)36-4)16(24-26-28)20(30)34-2/h5-10H,1-4H3
InChIKeyKSQOVAMNNVXTGP-UHFFFAOYSA-N
SmilesC1(N2C(C(OC)=O)=C(C(OC)=O)N=N2)=C2C(C=CC=C2N2C(C(OC)=O)=C(C(OC)=O)N=N2)=CC=C1
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Assign. Shift(ppm)
A 8.267
B 7.725
C 7.497
D 4.005
E 3.805
J(A,C)=0.7HZ. J(B,C)=7.3HZ. J(A,B)=8.4HZ.
Spectral Code: 1H NMR : 400 MHz in CDCl3
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ppm Int. Assign.
160.01 698 1
157.63 422 2
139.73 178 3
135.43 499 4
132.64 985 5
131.82 139 6
130.14 640 7
129.93 703 8
126.02 1000 9
124.57 141 10
53.32 667 11 *
52.74 903 12 *
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 dimethyl) ester(91165-61-6)IR1 Atlas of Related Products