盐酸小檗碱
产品名称
盐酸小檗碱
CAS号 141433-60-5
分子式 C20H20ClNO5
分子量 389.83
InChI InChI=1S/C20H18NO4.ClH/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;/h3-4,7-10H,5-6,11H2,1-2H3;1H/q+1;/p-1
InChIKey VKJGBAJNNALVAV-UHFFFAOYSA-M
Smiles C12C=C3C(C(OC)=C(OC)C=C3)=C[N+]=1CCC1=CC3OCOC=3C=C21.[Cl-]
展开
收起
Assign. Shift(ppm)
A 9.878
B 8.950
C 8.180
D 8.018
E 7.785
F 7.065
G 6.159
J 4.958
K *1 4.116
L *1 4.073
M 3.22
ASSIGNED BY H-H AND C-H COSY.
J(C,D)=9.2HZ
Spectral Code: 1H NMR : 400 MHz in DMSO-d6 at 50C
ppm Int. Assign.
150.33 821 1
149.87 833 2
147.72 894 3
145.34 478 4
143.97 684 5
137.55 583 6
133.24 871 7
130.61 1000 8
127.13 775 9
123.42 817 10
121.46 792 11
120.40 848 12
120.21 807 13
108.34 747 14
105.46 759 15
102.00 684 16
61.92 830 17
57.26 914 18
55.29 574 19
26.44 664 20
CONFIRMED BY C-H COSY.
Spectral Code: 13C NMR : in DMSO-d6 at 65C
Spectral Code: IR : KBr disc
盐酸小檗碱(141433-60-5)红外图谱(IR1) 相关产品图谱