4-硝基苯甲酰基双甘肽(78196-53-9)红外图谱(IR1)
分子式:C11H11N3O6
分子量: 281.22
InChI:InChI=1S/C11H11N3O6/c15-9(12-6-10(16)17)5-13-11(18)7-1-3-8(4-2-7)14(19)20/h1-4H,5-6H2,(H,12,15)(H,13,18)(H,16,17)
InChIKey: WQJHGFSTRONKLC-UHFFFAOYSA-N
Smiles:C(O)(=O)CNC(=O)CNC(=O)C1=CC=C([N+]([O-])=O)C=C1
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Assign. Shift(ppm)
A 13.
B 9.16
C 8.35
D 8.3
E 8.135
F 3.974
G 3.808
Spectral Code: 1H NMR : 400 MHz in DMSO-d6
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ppm Int. Assign.
171.10 451 1
168.99 467 2
164.92 403 3
149.09 376 4
139.64 424 5
128.86 994 6
123.41 1000 7
42.52 586 8
40.83 198 9
signal 9 overlapped by solvent
Spectral Code: 13C NMR : in DMSO-d6
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Spectral Code: IR : KBr disc
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Spectral Code: Raman : 4880 A,200 M,powder