Pargyline(555-57-7) Raman
Molecular FormulaC11H13N
Molecular Weight159.23
InChIInChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
InChIKey DPWPWRLQFGFJFI-UHFFFAOYSA-N
SmilesC1(CN(C)CC#C)=CC=CC=C1
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MassMS-NW-5455 N-methyl-N-(2-propynyl)benzylamine C11H13N (Mass of molecular ion: 159)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 4.6 18.0 1.3 27.0 2.0 28.0 2.7 37.0 1.1 38.0 3.1 39.0 21.1 40.0 2.7 41.0 8.5 42.0 43.9 43.0 2.1 44.0 3.8 50.0 3.2 51.0 7.7 52.0 2.1 55.0 1.0 62.0 1.6 63.0 5.6 64.0 1.8 65.0 21.0 66.0 3.8 68.0 66.9 69.0 3.4 76.0 1.0 77.0 5.7 78.0 2.4 78.5 1.4 79.0 1.7 80.0 3.4 81.0 1.8 82.0 100.0 83.0 6.3 89.0 4.8 90.0 2.2 91.0 96.3 92.0 30.5 93.0 2.3 104.0 2.2 115.0 3.8 116.0 1.8 117.0 1.9 118.0 12.0 119.0 2.6 120.0 2.9 128.0 1.2 129.0 1.1 132.0 5.8 134.0 3.8 143.0 1.2 144.0 1.5 157.0 1.5 158.0 32.5 159.0 41.9 160.0 6.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C11 H13 N 0.04 ml : 0.5 ml CDCl3 N-methyl-N-(2-propynyl)benzylamine 
Assign. Shift(ppm)
A 7.59 to 7.03 B 3.563 C 3.295 D 2.332 E 2.254 J(C,E)=2.4HZ.
Hz ppm Int.660.56 7.376 60 658.38 7.352 36 656.44 7.330 154 653.94 7.302 821 651.25 7.272 194 649.31 7.251 51 647.63 7.232 74 646.19 7.216 29 645.81 7.211 29 319.19 3.564 624 296.44 3.310 317 294.06 3.284 340 208.94 2.333 1000 204.25 2.281 191 201.88 2.255 390 199.44 2.227 195
in CDCl3
liquid film
4880 A,200 M,liquid
