4-NITROBENZO-15-CROWN-5(60835-69-0) IR1
Product Name4-NITROBENZO-15-CROWN-5
CAS60835-69-0
Molecular FormulaC14H19NO7
Molecular Weight313.3
InChIInChI=1S/C14H19NO7/c16-15(17)12-1-2-13-14(11-12)22-10-8-20-6-4-18-3-5-19-7-9-21-13/h1-2,11H,3-10H2
InChIKey XIWRBQVYCZCEPG-UHFFFAOYSA-N
SmilesO1C2=CC=C([N+]([O-])=O)C=C2OCCOCCOCCOCC1
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Assign. Shift(ppm)
A 7.889 B 7.719 C 6.883 D 4.24 to 4.18 E 3.97 to 3.91 F 3.81 to 3.72 J(A,C)=8.9HZ. J(A,B)=2.7HZ.Spectral Code: 1H NMR : 400 MHz in CDCl3
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ppm Int. Assign.
154.73 308 1 148.72 354 2 141.60 237 3 118.05 451 4 111.55 415 5 108.68 433 6 71.17 957 7 8 70.37 484 9 * 70.30 510 10 * 69.25 472 11 * 69.11 495 12 * 69.06 1000 13 * 14 *Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : nujol mull
