Journal of Spectroscopy

Research Article

Complete Assignment of 𝟏 H and 𝟏 𝟑 C NMR Spectra of 1,2,4-Trisubstituted Pyrroles

Table 1

1H NMR chemical shift assignments (ppm) for pyrroles 1a–f, 2a-b, 3a-b, 4, and 5a-b in CDCl3.
H1a1b1c1d1e1f2a2b345a5b
H-36.25
 (d, 1.9)		6.01 (brs)6.15 (brs)6.03
(d, 1.9)		5.94 (brs)6.19
(d, 1.3)		6.27
(d, 1.9)		6.28
(d, 1.7)		6.17
(d, 1.9)		6.44
(d, 1.9)		6.21
(d, 1.9)		6.19 (brs)
H-56.70  
(d, 1.9)		6.62 (brs)6.63 (brs)6.56
(d, 1.9)		6.57 (brs)6.71
(d, 1.3)		6.71
(d, 1.9)		6.60
(d, 1.7)		6.76
(d, 1.9)		6.93
(d, 1.9)		6.73
(d, 1.9)		6.72 (brs)
H-63.59 (s)3.58 (s)3.49 (s)3.51 (s)3.47 (s)3.58 (s)3.47 (s)3.47 (s)3.10 (s)3.64 (s)3.59 (s)3.59 (s)
H-7—10.20 (bs)——10.25 (brs)10.35 (brs)—————9.90 (bs)
H-85.11 (s)5.05 (s)5.10 (s)5.08 (s)5.04 (s)5.16 (s)5.13 (s)5.06 (s)3.92
(t, 7.2)		—4.51
(dt, 5.1, 1.6)		4.50
(dt, 5.2, 1.6)
H-9————————1.66–1.69   (m)7.11–7.48   (m, 10Har)5.98
(ddt, 17.0, 10.3, 5.1)		5.97
(ddt, 16.9, 10.4, 5.1)
H-107.03–7.06   (m, 2Har)7.07–7.10   (m, 2Har)7.07–7.10   (m, 2Har)7.01–7.03   (m, 2Har)7.01–7.04   (m, 2Har)7.10–7.13   (m, 2Har)7.04–7.07   (m, 2Har)7.04–7.09   (m, 2Har)1.21–1.32   (m)7.11–7.48   (m, 10Har)5.09
(dd, H 1 0 , 17.0, 1.4) 5.22
(dd, 10.3, 1.4)		5.10
(bd, H 1 0 , 16.9) 5.20
(dd, 10.4)
H-117.27–7.35   (m, 8Har)7.31–7.44   (m, 3Har)7.27–7.33   (m, 3Har)7.24–7.37   (m, 3Har)7.26–7.36   (m, 3Har)7.37–7.41   (m, 8Har)7.23–7.37   (m, 8Har)7.24–7.35   (m, 3Har)0.87
(t, 7.2)		7.11–7.48   (m, 10Har)——
H-127.27–7.35   (m, 8Har)7.31–7.44   (m, 3Har)7.27–7.33   (m, 3Har)7.24–7.37   (m, 3Har)7.26–7.36   (m, 3Har)7.37–7.41   (m, 8Har)7.23–7.37   (m, 8Har)7.24–7.35   (m, 3Har)—7.11–7.48   (m, 10Har)7.27–7.41   (m, 5Har)7.32
(d, 7.9)
H-137.27–7.35   (m, 8Har)7.31–7.44   (m, 3Har)7.27–7.33   (m, 3Har)7.24–7.37   (m, 3Har)7.26–7.36   (m, 3Har)7.37–7.41   (m, 8Har)7.23–7.37   (m, 8Har)7.24–7.35   (m, 3Har)7.30–7.43   (m, 5Har)7.11–7.48   (m, 10Har)7.27–7.41   (m, 5Har)7.22
(d, 7.9)
H-147.03–7.06   (m, 2Har)7.07–7.10   (m, 2Har)7.07–7.10   (m, 2Har)7.01–7.03   (m, 2Har)7.01–7.04   (m, 2Har)7.10–7.13   (m, 2Har)7.04–7.07   (m, 2Har)7.04–7.09   (m, 2Har)7.30–7.43   (m, 5Har)—7.27–7.41   (m, 5Har)—
H-15—2.50   (t, 7.3)4.28 (s)2.79  
(d, 5.5)		3.09  
(d, 7.7)		3.75 (s)—6.10  
(d, 15.6)		7.30–7.43   (m, 5Har)7.11–7.48   (m, 10Har)7.27–7.41   (m, 5Har)2.40 (s)
H-167.27–7.35   (m, 8Har)1.55–1.58   (m, 2H)3.36 (s)4.53
  (t, 5.5)		3.56  
(t, 7.7)		3.63 (s)7.23–7.37   (m, 8Har)5.75  
(d, 15.6)		7.30–7.43   (m, 5Har)7.11–7.48   (m, 10Har)7.27–7.41   (m, 5Har)7.22
(d, 7.9)
H-177.27–7.35   (m, 8Har)1.25–1.30   (m, 2H)—3.37–3.66   (m, 4H)4.17
(q, 4H, 7.2)		—7.23–7.37   (m, 8Har)1.93–2.08   (m, 3H)7.30–7.43   (m, 5Har)7.11–7.48   (m, 10Har)—7.32
(d, 7.9)
H-187.27–7.35   (m, 8Har)1.25–1.30   (m, 2H)—1.16  
(t, 6H, 7.1)		1.23  
(t, 6H, 7.2)		7.37–7.41   (m, 8Har)7.23–7.37   (m, 8Har)——7.11–7.48   (m, 10Har)——
H-197.27–7.35   (m, 8Har)1.22 (t, 3H)—3.37–3.66   (m, 4H)4.17  
(q, 4H, 7.2)		7.37–7.41   (m, 8Har)7.23–7.37   (m, 8Har)5.37-5.38   (m)—7.11–7.48   (m, 10Har)— 
H-207.27–7.35   (m, 8Har)——1.16 (t, 6H, 7.1)1.23
(t, 6H, 7.2)		7.37–7.41   (m, 8Har)7.23–7.37   (m, 8Har)1.93–2.08   (m, 3H)————
H-21—————7.37–7.41   (m, 8Har)—1.55–1.67 (m)————
H-22—————7.37–7.41   (m, 8Har)1.51 (s)—————
H-23——————1.51 (s)0.76 (s)————
H-24——————1.51 (s)0.86 (s)————
H-25———————1.48
(d, 1.7)		————
H-26———————4.17
(q, 7.1)		————
H-27———————1.28
(t, 7.1)		————