2,5-Bis(5-tert-butyl-2-benzoxazolyl)thiophene(7128-64-5) 1H NMR
Product Name2,5-Bis(5-tert-butyl-2-benzoxazolyl)thiophene
CAS7128-64-5
Molecular FormulaC26H26N2O2S
Molecular Weight430.56
InChIInChI=1S/C26H26N2O2S/c1-25(2,3)15-7-9-19-17(13-15)27-23(29-19)21-11-12-22(31-21)24-28-18-14-16(26(4,5)6)8-10-20(18)30-24/h7-14H,1-6H3
InChIKey AIXZBGVLNVRQSS-UHFFFAOYSA-N
SmilesC1(C2=NC3=CC(C(C)(C)C)=CC=C3O2)SC(C2=NC3=CC(C(C)(C)C)=CC=C3O2)=CC=1
-
MassMS-NW-7085 2,5-bis(5-tert-butyl-2-benzoxazolyl)thiophene C26H26N2O2S (Mass of molecular ion: 430)
Source Temperature: 220 °C Sample Temperature: 150 °C Direct, 75 eV
27.0 2.2 29.0 1.5 39.0 3.2 41.0 7.6 51.0 2.7 53.0 1.8 55.0 1.6 57.0 1.0 63.0 3.0 64.0 1.0 65.0 3.7 77.0 14.2 78.0 2.4 79.0 9.4 89.0 3.7 90.0 1.2 91.0 2.3 103.0 6.1 104.0 1.6 105.0 21.0 106.0 2.1 115.0 1.1 117.0 1.4 131.0 1.0 133.0 13.8 134.0 1.7 172.0 7.7 172.5 2.0 173.0 1.0 186.0 5.6 186.5 1.5 200.0 14.1 200.5 4.3 201.0 1.5 207.5 1.4 226.0 1.7 227.0 1.4 239.0 4.6 240.0 1.7 266.0 1.0 267.0 8.2 268.0 1.8 284.0 1.2 318.0 1.0 331.0 2.8 357.0 1.3 358.0 1.5 359.0 5.8 360.0 1.6 371.0 2.0 372.0 1.3 374.0 1.0 375.0 1.5 385.0 1.3 387.0 6.3 388.0 1.8 399.0 3.7 400.0 1.7 401.0 1.3 415.0 73.3 416.0 21.2 417.0 7.0 418.0 1.6 429.0 1.4 430.0 100.0 431.0 30.8 432.0 9.5 433.0 2.1
90 MHz in CDCl3
400 MHz in CDCl3
-
1H NMR 89.56 MHz C26 H26 N2 O2 S 0.048 g : 0.5 ml CDCl3 2,5-bis(5-tert-butyl-2-benzoxazolyl)thiophene 
Assign. Shift(ppm)
A 7.873 B 7.79 C 7.46 D 7.41 E 1.392
Hz ppm Int.705.13 7.874 139 698.88 7.804 41 697.81 7.792 59 696.38 7.776 37 666.69 7.445 118 665.13 7.427 61 124.69 1.393 1000
-
1H NMR 399.65 MHz C26 H26 N2 O2 S 0.038 g : 0.5 ml CDCl3 2,5-bis(5-tert-butyl-2-benzoxazolyl)thiophene Assign. Shift(ppm)
A 7.877 B 7.793 C 7.464 D 7.426 E 1.393
Hz ppm Int.3148.32 7.878 223 3115.72 7.797 68 3115.23 7.795 77 3113.89 7.792 75 3113.40 7.791 72 2989.62 7.481 40 2989.14 7.480 40 2981.08 7.460 100 2980.47 7.458 98 2971.19 7.435 79 2969.36 7.430 73 2962.52 7.413 32 2960.69 7.409 32 556.76 1.394 1000
KBr disc
nujol mull
