Product Name[1,1'-(Naphthalene-1,8-diyl)bis(1H-1,2,3-triazole)]-4,4',5-tricarboxylic acid triethyl ester
CAS91165-72-9
Molecular Formula
Molecular Weight
InChIInChI=1S/C23H22N6O6/c1-4-33-21(30)15-13-28(26-24-15)16-11-7-9-14-10-8-12-17(18(14)16)29-20(23(32)35-6-3)19(25-27-29)22(31)34-5-2/h7-13H,4-6H2,1-3H3
InChIKey LTHPPTGMEANHSY-UHFFFAOYSA-N
SmilesC1(N2C(C(OCC)=O)=C(C(OCC)=O)N=N2)=C2C(C=CC=C2N2C=C(C(OCC)=O)N=N2)=CC=C1
Assign. Shift(ppm)
A *1 8.27 B *1 8.25 C 8.001 D *2 7.73 E *2 7.72 F 7.53 G 4.50 to 4.39 K 4.226 L *3 1.44 M *3 1.43 N 1.151 TWO PROTONES OF G, AND OF J ARE NOT EQUIVALENT.
ppm Int. Assign.
159.96 190 1 * 159.62 168 2 * 157.22 75 3 140.11 88 4 139.95 244 5 135.49 358 6 132.50 565 7 # 132.30 548 8 # 131.77 122 9 130.87 371 10 *1 130.20 244 11 *1 129.80 1000 12 #1 13 #1 129.59 592 14 #1 126.28 607 15 *2 126.16 585 16 *2 124.11 178 17 62.79 560 18 #2 62.00 617 19 #2 61.20 649 20 #2 14.32 609 21 *3 14.16 568 22 *3 13.61 580 23
[1,1'-(Naphthalene-1,8-diyl)bis(1H-1,2,3-triazole)]-4,4',5-tricarboxylic acid triethyl ester(91165-72-9) 1H NMR Atlas of Related Products
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