4-TERT-BUTYLBENZO-15-CROWN-5
Product Name
4-TERT-BUTYLBENZO-15-CROWN-5
CAS15196-73-3
MFC18H28O5
MW324.41
InChIInChI=1S/C18H28O5/c1-18(2,3)15-4-5-16-17(14-15)23-13-11-21-9-7-19-6-8-20-10-12-22-16/h4-5,14H,6-13H2,1-3H3
InChIKeyLNNVNAOXLAULPK-UHFFFAOYSA-N
SmilesO1C2=CC=C(C(C)(C)C)C=C2OCCOCCOCCOCC1
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Assign. Shift(ppm)
A 6.929
B 6.903
C 6.803
D *1 4.164
E *1 4.123
F *2 3.92
G *2 3.90
J 3.81 to 3.71
K 1.284
Spectral Code: 1H NMR : 400 MHz in CDCl3
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ppm Int. Assign.
148.80 242 1
147.21 254 2
144.76 245 3
118.12 313 4
114.08 305 5
112.92 330 6
71.15 379 7
8
70.83 364 9 *
70.76 356 10 *
69.93 317 11 *
69.86 405 12 *
69.69 377 13 *
69.40 315 14 *
34.35 284 15
31.53 1000 16
Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : nujol mull
4-TERT-BUTYLBENZO-15-CROWN-5(15196-73-3)1HNMR Atlas of Related Products