Steric Corrections (Ppm)

Co = -2.3 + 9.1 + 9.4 - 2.5 + 0.3 + 0.1 + (steric corrections) ppm

C- C-C- C-C- C-C-C- C-C- C

Steric Corrections (ppm)

Type of Attached Carbon
Observed Carbon Atom / Primary / Secondary / Tertiary / Quaternary
Primary / 0.0 / 0.0 / -1.1 / -3.4
Secondary / 0.0 / 0.0 / -2.5 / -7.5
Tertiary / 0.0 / -3.7 / -9.5 / -15.0
Quaternary / -1.5 / -8.4 / -15.0 / -25.0
C1 = -2.3 + 9.1(1) + 9.4(3) - 2.5(1) + [1(-3.4)] / = 29.1 ppm
Observed: / 29.1 ppm
C2 = -2.3 + 9.1(4) + 9.4(1) + [3(-1.5) + 1(-8.4)] / = 30.6 ppm
Observed: / 30.6 ppm
C3 = -2.3 + 9.1(2) + 9.4(3) + [1(-7.5)] / = 36.6 ppm
Observed: / 36.9 ppm
C4 = -2.3 + 9.1(1) + 9.4(1) - 2.5(3) + [1(0.0)] / = 8.7 ppm
Observed: / 8.9 ppm

C1 = Co + Σ(Increments)

terminal:
/ internal:

Substituent Y /  /  /  /  /  / 
-D / -0.4 / -0.1 / 0
-CH3 / 9 / 10 / -2 / 6 / 8 / -2
-CH=CH2 / 20 / 6 / -0.5 / -0.5
-CCH / 4.5 / 5.4 / -3.5 / -3.5
-C6H5 / 23 / 9 / -2 / 17 / 7 / -2
-CHO / 31 / 0 / -2
-C(O)CH3 / 30 / 1 / -2 / 24 / 1 / -2
-CO2H / 21 / 3 / -2 / 16 / 2 / -2
-CO2R / 20 / 3 / -2 / 17 / 2 / -2
-C(O)NH2 / 22 / 2.5 / -0.5 / -0.5
-CN / 4 / 3 / -3 / 1 / 3 / -3
-NH2 / 29 / 11 / -5 / 24 / 10 / -5
-NHR / 37 / 8 / -4 / 31 / 6 / -4
-NR2 / 42 / 6 / -3 / -3
-NO2 / 63 / 4 / 57 / 4
-OH / 48 / 10 / -5 / 41 / 8 / -5
-OR / 58 / 8 / -4 / 51 / 5 / -4
-OC(O)CH3 / 51 / 6 / -3 / 45 / 5 / -3
-F / 68 / 9 / -4 / 63 / 6 / -4
-Cl / 31 / 11 / -4 / 32 / 10 / -4
-Br / 20 / 11 / -3 / 25 / 10 / -3
-I / -6 / 11 / -1 / 4 / 12 / -1
C1 = 13.4 + 8 / = 21.4 ppm
Observed: / 22.6 ppm
C2 = 25.2 + 41 / = 66.2 ppm
Observed: / 68.7 ppm
C3 = 25.2 + 8 / = 33.2 ppm
Observed: / 32.0 ppm
C4 = 13.4 + (-5) / = 8.4 ppm
Observed: / 9.9 ppm
C1 = 15.8 + 20 / = 35.8 ppm
Observed: / 35.7 ppm
C2 = 16.3 + 11 / = 27.3 ppm
Observed: / 26.8 ppm
C3 = 15.8 + (-3) / = 12.8 ppm
Observed: / 13.2 ppm