N-(2-Methylphenyl)piperazine hydrochloride(70849-60-4) 13C NMR
Product NameN-(2-Methylphenyl)piperazine hydrochloride
CAS70849-60-4
Molecular FormulaC11H17ClN2
Molecular Weight212.72
InChIInChI=1S/C11H16N2.ClH/c1-10-4-2-3-5-11(10)13-8-6-12-7-9-13;/h2-5,12H,6-9H2,1H3;1H
InChIKey LZNYIWJDVYCKDU-UHFFFAOYSA-N
SmilesN1(CCNCC1)C1=CC=CC=C1C.Cl
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MassMS-NW-8042 1-(o-tolyl)piperazine hydrochloride C11H16N2 HCl (Mass of molecular ion: 176)
Source Temperature: 180 °C Sample Temperature: 140 °C Direct, 75 eV
18.0 1.4 27.0 1.4 28.0 5.7 29.0 4.5 30.0 3.0 35.0 1.6 36.0 15.7 38.0 5.3 39.0 2.5 41.0 1.5 42.0 2.5 51.0 1.6 56.0 8.6 57.0 5.6 63.0 1.2 65.0 5.2 77.0 2.0 88.0 1.2 89.0 1.4 91.0 8.9 92.0 1.0 105.0 2.0 117.0 2.8 118.0 16.9 119.0 6.0 120.0 5.5 121.0 1.2 130.0 1.0 132.0 3.8 134.0 100.0 135.0 10.3 146.0 1.2 176.0 33.6 177.0 4.3
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C11 H16 N2 0.035 g : 0.5 ml DMSO-d6 1-(o-tolyl)piperazine hydrochloride 
Assign. Shift(ppm)
A 9.61 B 7.19 C 7.18 D 7.028 E 7.01 F 3.20 G 3.07 J 2.253
Hz ppm Int.3841.71 9.613 92 2877.35 7.200 173 2869.87 7.181 238 2861.63 7.161 84 2812.35 7.038 163 2808.69 7.028 121 2804.57 7.018 139 2801.36 7.010 161 2794.04 6.992 66 2793.12 6.989 62 1278.84 3.200 298 1274.57 3.190 263 1229.71 3.077 334 1224.52 3.064 343 1219.94 3.053 229 900.88 2.255 1000
in DMSO-d6
KBr disc
nujol mull
