PARGYLINE HYDROCHLORIDE(306-07-0) MS
Product NamePARGYLINE HYDROCHLORIDE
CAS306-07-0
Molecular FormulaC11H14ClN
Molecular Weight195.69
InChIInChI=1S/C11H13N.ClH/c1-3-9-12(2)10-11-7-5-4-6-8-11;/h1,4-8H,9-10H2,2H3;1H
InChIKey BCXCABRDBBWWGY-UHFFFAOYSA-N
SmilesC1(=CC=CC=C1)CN(C)CC#C.Cl
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MassMS-NW-6663 N-methyl-N-(2-propynyl)benzylamine hydrochloride C11H13N HCl (Mass of molecular ion: 159)
Source Temperature: 160 °C Sample Temperature: 110 °C Direct, 75 eV
15.0 5.3 17.0 1.1 18.0 5.3 27.0 2.4 28.0 2.7 35.0 5.2 36.0 38.0 37.0 1.6 38.0 12.4 39.0 24.7 40.0 2.4 41.0 10.2 42.0 52.0 43.0 2.2 44.0 3.8 50.0 3.4 51.0 8.3 52.0 2.6 53.0 1.0 54.0 1.1 55.0 1.0 62.0 1.9 63.0 5.9 64.0 2.0 65.0 24.4 66.0 4.7 68.0 73.7 69.0 3.6 75.0 1.0 76.0 1.2 77.0 5.7 78.0 2.2 78.5 1.6 79.0 1.5 80.0 3.4 81.0 2.3 82.0 100.0 83.0 6.6 89.0 5.4 90.0 2.4 91.0 84.8 92.0 32.0 93.0 1.9 104.0 2.0 115.0 3.8 116.0 1.9 117.0 2.1 118.0 11.2 119.0 2.0 120.0 2.0 128.0 1.3 129.0 1.1 132.0 6.2 134.0 1.4 143.0 1.1 144.0 1.5 157.0 1.5 158.0 32.9 159.0 64.8 160.0 7.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C11 H13 N 0.033 g : 0.5 ml CDCl3 N-methyl-N-(2-propynyl)benzylamine hydrochloride 
Assign. Shift(ppm)
A 13.0 B 7.717 C 7.44 D 4.34 E 3.87 F 2.890 G 2.858
Hz ppm Int.3089.47 7.731 153 3086.54 7.724 151 3085.44 7.721 149 3083.79 7.717 158 3082.88 7.714 163 3081.41 7.711 129 3079.94 7.707 183 3076.46 7.698 27 3075.73 7.697 28 2981.58 7.461 43 2977.55 7.451 412 2974.44 7.443 414 2973.34 7.440 241 2971.14 7.435 385 2969.50 7.431 108 2967.11 7.425 44 1155.23 2.891 1000 1144.97 2.865 164 1142.41 2.859 348 1139.84 2.853 163
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
