##TITLE= p-xylene (1,4-Dimethylbenzene)
##JCAMP-DX= 5.0   $$ 
##DATA TYPE= NMR SPECTRUM
##ORIGIN= Dept of Chem, UWI, JAMAICA
##OWNER= public domain
##SPECTROMETER/DATA SYSTEM= BRUKER ASPECT 3000
##INSTRUMENTAL PARAMETERS= 1H
##.OBSERVE FREQUENCY= 200.131561
##.OBSERVE NUCLEUS= ^1H
##.ACQUISITION MODE = SEQUENTIAL
##CAS NAME= p-xylene
##MOLFORM= C 8 H 10
##CAS REGISTRY NO= 106-42-3
##MP= 12
##BP= 138
##MW= 106.17
##NPOINTS = 8192
##FIRSTX = 2422.411133
##LASTX = -168.262573
##MAXX = 2422.411133
##MINX = -168.262573
##MAXY = 17021086.000000
##MINY = -109059.656250
##XFACTOR = 1.000000
##YFACTOR = 531.908936
##FIRSTY = -3165.765625
##DELTAX = -0.316283
##XUNITS = HZ
##YUNITS = ARBITRARY UNITS
##$ASSIGNMENT TYPE= CHIME
##$CHIME TARGET= PROPSTRUCT
##PEAK ASSIGNMENT= (XYWA)
2.31, -1, 0.05, <select *; spacefill off; wireframe on; select atomno=13 or 
atomno=14 or atomno=15 or atomno=16 or atomno=17 or atomno=18; spacefill 90>                                   
7.06, -1, 0.05, <select *; spacefill off; wireframe on; select atomno=9 or 
atomno=10 or atomno=11 or atomno=12; spacefill 90> 
6,-1,6,  <select *; spacefill off; wireframe on>  
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