N-(3-Trifluoromethylphenyl)piperazine(15532-75-9) MS
Product NameN-(3-Trifluoromethylphenyl)piperazine
CAS15532-75-9
Molecular FormulaC11H13F3N2
Molecular Weight230.23
InChIInChI=1S/C11H13F3N2/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16/h1-3,8,15H,4-7H2
InChIKey KKIMDKMETPPURN-UHFFFAOYSA-N
SmilesN1(C2=CC=CC(C(F)(F)F)=C2)CCNCC1
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MassMS-NW-8593 1-(m-(trifluoromethyl)phenyl)piperazine C11H13F3N2 (Mass of molecular ion: 230)
Source Temperature: 260 °C Sample Temperature: 140 °C Reservoir, 75 eV
27.0 1.6 28.0 6.4 29.0 6.1 30.0 4.1 41.0 1.2 42.0 3.3 43.0 1.0 51.0 1.0 55.0 1.0 56.0 11.2 57.0 6.0 75.0 1.9 95.0 2.3 105.0 1.2 119.0 1.0 125.0 1.3 127.0 1.6 145.0 11.3 146.0 1.0 159.0 3.5 172.0 10.6 173.0 8.0 174.0 3.3 175.0 1.0 188.0 100.0 189.0 10.3 211.0 3.1 230.0 21.5 231.0 2.9
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C11 H13 F3 N2 0.05 ml : 0.5 ml CDCl3 1-(m-(trifluoromethyl)phenyl)piperazine 
Assign. Shift(ppm)
A 7.318 B 7.113 C 7.06 D 7.04 E 3.150 F 2.997 G 1.91
Hz ppm Int.2934.20 7.342 157 2926.15 7.322 331 2917.85 7.302 326 2843.02 7.114 378 2827.03 7.074 279 2826.42 7.073 295 2818.60 7.053 437 2817.99 7.052 434 2809.69 7.031 207 2807.25 7.025 190 1264.53 3.165 763 1259.77 3.153 901 1257.45 3.147 601 1254.39 3.139 1000 1202.64 3.010 955 1199.58 3.002 569 1197.27 2.996 856 1192.38 2.984 741 762.45 1.908 237
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1H NMR 89.56 MHz C11 H13 F3 N2 0.05 ml : 0.5 ml CDCl3 1-(m-(trifluoromethyl)phenyl)piperazine Assign. Shift(ppm)
A 7.33 B 7.10 C 7.07 D 3.15 E 3.02 F 1.74 400MHZ:HSP-43-656
Hz ppm Int.665.94 7.436 54 665.06 7.426 71 664.38 7.419 57 657.38 7.341 138 656.69 7.333 148 653.88 7.302 52 650.44 7.263 145 649.69 7.255 174 648.94 7.246 168 635.81 7.100 859 627.81 7.010 213 297.19 3.319 32 296.88 3.315 32 296.06 3.306 35 294.75 3.292 41 293.88 3.282 46 290.06 3.239 219 288.25 3.219 287 285.56 3.189 437 283.75 3.169 449 281.69 3.146 611 279.38 3.120 955 274.06 3.061 1000 271.69 3.034 544 269.50 3.010 424 267.69 2.989 406 265.00 2.959 254 263.25 2.940 188 156.19 1.744 634
in CDCl3
liquid film
4880 A,200 M,liquid
