1-Benzylpiperazine(2759-28-6) 1H NMR
Product Name1-Benzylpiperazine
CAS2759-28-6
Molecular FormulaC11H16N2
Molecular Weight176.26
InChIInChI=1S/C11H16N2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h1-5,12H,6-10H2
InChIKey IQXXEPZFOOTTBA-UHFFFAOYSA-N
SmilesN1(CC2=CC=CC=C2)CCNCC1
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MassMS-NW-5815 1-benzylpiperazine C11H16N2 (Mass of molecular ion: 176)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 1.6 18.0 2.1 26.0 1.1 27.0 2.3 28.0 6.0 29.0 4.6 30.0 5.1 39.0 3.7 41.0 3.2 42.0 9.1 43.0 2.5 44.0 3.2 51.0 2.4 54.0 1.5 55.0 2.0 56.0 24.5 57.0 5.6 58.0 5.5 63.0 1.9 65.0 8.7 71.0 1.9 77.0 1.6 80.0 1.5 83.0 1.6 85.0 14.2 86.0 1.0 89.0 1.7 90.0 1.4 91.0 100.0 92.0 8.8 99.0 2.3 104.0 3.1 105.0 1.6 118.0 4.4 119.0 3.3 120.0 7.5 121.0 1.5 131.0 2.1 132.0 2.3 133.0 2.9 134.0 78.9 135.0 8.6 146.0 4.6 147.0 2.6 175.0 2.6 176.0 19.1 177.0 2.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C11 H16 N2 0.04 ml : 0.5 ml CDCl3 1-benzylpiperazine 
Assign. Shift(ppm)
A 7.39 to 7.18 B 3.473 C 2.86 D 2.39 E 1.56
Hz ppm Int.658.94 7.358 72 654.94 7.313 186 652.50 7.286 1000 649.75 7.255 197 647.63 7.232 53 645.56 7.209 28 644.63 7.198 31 313.13 3.497 25 311.06 3.474 779 261.25 2.918 226 257.06 2.871 269 251.56 2.809 380 218.69 2.442 340 215.81 2.410 154 213.63 2.386 280 209.06 2.335 197 139.25 1.555 464
in CDCl3
liquid film
4880 A,200 M,liquid
