Tetraethylammonium iodide(68-05-3) 1H NMR
Product NameTetraethylammonium iodide
CAS68-05-3
Molecular FormulaC8H20IN
Molecular Weight257.16
InChIInChI=1S/C8H20N.HI/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1
InChIKey UQFSVBXCNGCBBW-UHFFFAOYSA-M
Smiles[N+](CC)(CC)(CC)CC.[I-]
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MassMS-NW-9049 tetraethylammonium iodide C8H20IN (Mass of molecular ion: 257)
Source Temperature: 230 °C Sample Temperature: 220 °C Direct, 75 eV
15.0 1.0 18.0 5.8 26.0 4.2 27.0 33.4 28.0 12.4 29.0 78.9 30.0 32.6 41.0 1.9 42.0 6.6 43.0 1.7 44.0 11.5 56.0 4.6 57.0 2.1 58.0 58.8 59.0 2.2 70.0 2.8 71.0 1.6 72.0 4.5 84.0 1.1 86.0 100.0 87.0 6.1 91.0 4.4 100.0 7.3 101.0 20.7 102.0 1.5 126.0 1.0 127.0 9.2 128.0 6.4 134.0 1.4 141.0 1.2 156.0 85.8 157.0 2.0
400 MHz in D2O
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1H NMR 399.65 MHz C8 H20 I N 0.040 g : 0.5 ml D2O tetraethylammonium iodide 
Assign. Shift(ppm)
A 3.273 B 1.271
Hz ppm Int.1318.97 3.301 331 1311.77 3.283 988 1304.44 3.264 982 1300.17 3.254 44 1297.12 3.246 329 516.97 1.294 504 515.01 1.289 530 513.18 1.285 519 509.64 1.276 989 507.81 1.271 1000 505.86 1.266 933 502.32 1.257 482 500.49 1.253 486 498.54 1.248 447
KBr disc
nujol mull
