Dodecylpyridinium chloride(104-74-5) MS
Product NameDodecylpyridinium chloride
CAS104-74-5
Molecular FormulaC17H30ClN
Molecular Weight283.88
InChIInChI=1S/C17H30N.ClH/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;/h11,13-14,16-17H,2-10,12,15H2,1H3;1H/q+1;/p-1
InChIKey GKQHIYSTBXDYNQ-UHFFFAOYSA-M
Smiles[N+]1(CCCCCCCCCCCC)C=CC=CC=1.[Cl-]
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MassMS-NW-7902 1-dodecylpyridinium chloride C17H30ClN (Mass of molecular ion: 283)
Source Temperature: 210 °C Sample Temperature: 220 °C Direct, 75 eV
18.0 1.7 26.0 4.8 27.0 14.8 28.0 3.9 29.0 25.9 36.0 3.2 37.0 1.2 38.0 1.8 39.0 13.8 40.0 2.0 41.0 51.8 42.0 15.0 43.0 100.0 44.0 3.4 49.0 2.4 50.0 10.1 51.0 15.9 52.0 38.6 53.0 7.5 54.0 4.0 55.0 52.4 56.0 21.0 57.0 91.4 58.0 4.2 63.0 2.1 67.0 4.0 68.0 3.6 69.0 43.4 70.0 14.7 71.0 36.9 72.0 2.2 75.0 1.5 76.0 1.0 77.0 2.1 78.0 7.4 79.0 56.6 80.0 6.5 81.0 1.8 82.0 3.1 83.0 20.6 84.0 9.0 85.0 17.5 86.0 1.2 91.0 83.9 92.0 4.2 93.0 27.5 94.0 2.0 95.0 1.0 96.0 1.2 97.0 11.9 98.0 4.4 99.0 1.5 104.0 2.0 105.0 22.2 106.0 3.1 107.0 7.7 111.0 4.2 112.0 1.9 119.0 5.0 121.0 1.5 133.0 1.8 147.0 1.0 248.0 7.8 249.0 2.5 274.0 2.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C17 H30 Cl N 0.033 g : 0.5 ml CDCl3 1-dodecylpyridinium chloride 
Assign. Shift(ppm)
A 9.543 B 8.544 C 8.208 D 4.979 E 2.040 F 1.33 G 1.22 J 0.871
Hz ppm Int.3816.68 9.551 198 3811.04 9.536 200 3426.97 8.575 57 3419.04 8.556 121 3411.25 8.536 72 3287.20 8.226 132 3280.64 8.209 175 3279.88 8.207 170 3273.01 8.190 122 1997.68 4.999 123 1990.36 4.981 211 1982.88 4.962 132 822.91 2.060 68 815.58 2.041 102 808.26 2.023 80 800.63 2.004 33 530.40 1.328 157 507.66 1.271 170 501.86 1.256 262 489.35 1.225 1000 355.22 0.889 225 348.36 0.872 622 341.34 0.855 268
in CDCl3
CCl4 solution
KBr disc
nujol mull
