Product Name4-TERT-BUTYLBENZO-18-CROWN-6
CAS14098-26-1
Molecular Formula
Molecular Weight
InChIInChI=1S/C20H33O6/c1-20(2,3)26-16-14-23-11-10-21-8-9-22-12-13-24-18-6-4-5-7-19(18)25-15-17-26/h4-7H,8-17H2,1-3H3
InChIKey HJPWSZCXEBXUDS-UHFFFAOYSA-N
SmilesO1C2=CC=CC=C2OCCOCCOCCOCCO(C(C)(C)C)CC1
Assign. Shift(ppm)
A 6.944 B 6.905 C 6.815 D *1 4.187 E *1 4.142 F *2 3.93 G *2 3.91 J 3.79 to 3.75 K 3.74 to 3.70 L 3.68 M 1.282 J(A,B)=2.3HZ. J(B,C)=8.4HZ.
ppm Int. Assign.
148.65 300 1 147.09 235 2 144.81 240 3 118.17 311 4 114.30 272 5 113.18 241 6 70.96 424 7 * 8 * 70.86 1000 9 * 10 * 11 * 12 * 69.96 347 13 * 69.89 285 14 * 69.69 314 15 * 69.42 279 16 * 34.35 307 17 31.50 799 18
4-TERT-BUTYLBENZO-18-CROWN-6(14098-26-1) IR1 Atlas of Related Products
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