A Multidisciplinary Investigation to Determine the Structure and Source of Dimeric Impurities in AMG 517 Drug Substance

Table 2

¹H and ¹³C chemical shifts (δ/ppm) of AMG 517 standard in DMSO-d6 (400 MHz).

Position	^1H (𝛿/ppm, J/Hz)^(a)	^13C (𝛿/ppm)^(a)
1		130.9 (q, JC-F = 31.9 Hz)
2, 6	7.92 (d, 2H, J = 8.2 Hz)^(b)	125.9 (q, JC-F = 3.7 Hz)
3, 5	8.44 (d, 2H, J = 8.2 Hz)	128.0
4		139.7
7		163.4
9	8.79 (s, 1H)	158.6^(e)
11		170.3^(d)
12	7.97 (s, 1H)	104.2
13		124.0 (q, JC-F = 272.2 Hz)
15		143.5
16	7.35 (m, 1H)^(c)	119.1
17	7.39 (t, 1H, J = 7.7 Hz)^(c)	124.2
18	7.93 (m, 1H)^(b)	119.6
19		133.6
20		141.4
22		158.4^(e)
24	12.42 (s, 1H)
25		169.5^(d)
26	2.13 (s, 3H)	22.6

^(a) Signal splitting patterns: s = singlet, d = doublet, t = triplet, q = quartet, m = multiplet; ^{(b), (c)} overlapping; ^{(d), (e)} interchangeable assignment.