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Cetylpyridinium chloride(123-03-5) 1H NMR
Product NameCetylpyridinium chloride
CAS123-03-5
Molecular FormulaC21H38ClN
Molecular Weight339.99
InChIInChI=1S/C21H38N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H/q+1;/p-1
InChIKey YMKDRGPMQRFJGP-UHFFFAOYSA-M
Smiles[N+]1(CCCCCCCCCCCCCCCC)C=CC=CC=1.[Cl-]
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Assign. Shift(ppm)
A 9.55 B 8.54 C 8.21 D 4.98 E 2.04 F 1.42 to 1.30 G 1.25 J 0.88 H2O INCLUDEDSpectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
145.32 148 1 145.15 157 2 128.57 328 3 62.08 81 4 32.00 170 5 31.92 371 6 29.69 1000 7 * 29.35 384 8 * 29.13 149 9 26.14 131 10 22.67 355 11 14.10 308 12Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : nujol mull
