Benzyltriethylammonium chloride(56-37-1) Raman
Product NameBenzyltriethylammonium chloride
CAS56-37-1
Molecular FormulaC13H22ClN
Molecular Weight227.77
InChIInChI=1S/C13H22N.ClH/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;/h7-11H,4-6,12H2,1-3H3;1H/q+1;/p-1
InChIKey HTZCNXWZYVXIMZ-UHFFFAOYSA-M
Smiles[N+](CC)(CC)(CC)CC1=CC=CC=C1.[Cl-]
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MassMS-NW-4868 benzyltriethylammonium chloride C13H22ClN (Mass of molecular ion: 227)
Source Temperature: 210 °C Sample Temperature: 200 °C Direct, 75 eV
15.0 2.6 18.0 2.7 26.0 3.0 27.0 13.3 28.0 10.1 29.0 12.9 30.0 17.4 37.0 1.7 38.0 3.5 39.0 11.3 40.0 1.4 41.0 4.0 42.0 10.9 43.0 1.9 44.0 9.0 45.0 2.0 49.0 1.1 50.0 4.6 51.0 6.2 52.0 1.8 54.0 1.3 56.0 6.1 57.0 1.3 58.0 19.4 61.0 2.0 62.0 4.7 63.0 9.5 64.0 3.0 65.0 13.9 70.0 2.7 71.0 1.1 72.0 2.9 86.0 53.3 87.0 4.1 89.0 6.7 90.0 3.1 91.0 100.0 92.0 7.4 100.0 3.7 101.0 8.0 125.0 2.1 126.0 13.3 127.0 1.9 128.0 4.6 148.0 3.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C13 H22 Cl N 0.046 g : 0.5 ml CDCl3 benzyltriethylammonium chloride 
Assign. Shift(ppm)
A 7.72 to 7.25 B 4.739 C 3.414 D 1.454
Hz ppm Int.682.81 7.625 61 680.44 7.598 98 676.75 7.557 144 676.38 7.553 146 676.06 7.549 145 672.75 7.512 301 670.69 7.489 262 668.31 7.463 554 665.75 7.434 310 662.75 7.401 118 661.19 7.383 98 657.75 7.345 30 424.44 4.740 633 317.13 3.541 178 314.13 3.508 56 313.75 3.504 54 309.75 3.459 628 302.56 3.379 683 298.50 3.333 66 298.19 3.330 67 295.44 3.299 233 292.38 3.265 43 291.25 3.253 40 137.06 1.531 515 130.00 1.452 1000 122.88 1.373 445 116.63 1.303 34
in CDCl3
KBr disc
nujol mull
