Answer 6.4
6.4
=>
Uploading spec.str
L1 STRUCTURE UPLOADED
=> run specal l1 all c
*** CALCULATION OF NMR SPECTRUM LINE VALUES ***
CHARGED STRUCTURES EXCLUDED - POLAR SOLVENTS EXCLUDED
ATOM NO. MEAN STD. DEV. MULTIPL. HITS
(PPM) (PPM)
==========+===========+=============+===========+===============
1 125.34 0.70 S (INTERPOLATED)
2 138.93 2.26 D (INTERPOLATED)
3 144.74 5.94 D (INTERPOLATED)
5 148.30 0.30 S (INTERPOLATED)
6 121.05 4.05 D (INTERPOLATED)
7 165.15 0.05 S ( 2 LINES )
9 61.22 0.81 T ( 164 LINES )
10 14.09 0.41 Q ( 2900 LINES )
12 165.00 0.00 S ( 1 LINE )
14 62.12 0.72 T ( 15 LINES )
15 14.09 0.41 Q ( 2900 LINES )
L2 RUN STATEMENT CREATED
ENTER NODE NUMBER (END) :10
ATOM NUMBER : 10
MULTIPLICITY : Q
HOSE CODE : C(O/C$/C)
NO. OF LINE VALUES : 2900
NO. OF STRUCTURES : 2070
MEAN, STANDARD DEVIATION : 14.1+/- 0.4 PPM
RANGE : 8.9 - 20.1 PPM
ENTER SD,DR,CL,SE,R (END):sd
INTERVAL HITS
(PPM)
-----------------+------
8 - 9 1
9 - 10 0
10 - 11 0
11 - 12 11
12 - 13 31
13 - 14 992
14 - 15 1854
15 - 16 7
16 - 17 0
17 - 18 2
18 - 19 0
19 - 20 1
20 - 21 1
ENTER SD,DR,CL,SE,R (END):dr
ENTER LOWER VALUE (?) :13
ENTER UPPER VALUE (?) :15
NO. OF LINE VALUES : 2846
NO. OF STRUCTURES : 2044
MEAN, STANDARD DEVIATION : 14.1+/- 0.3 PPM
RANGE : 13.0 - 15.0 PPM
ENTER SD,DR,CL,SE,R (END):sd
INTERVAL HITS
(PPM)
-----------------+------
13.0 - 13.5 113
13.5 - 14.0 879
14.0 - 14.5 1733
14.5 - 15.0 121
ENTER SD,DR,CL,SE,R (END):.
