5-硝基-1H-苯并[D][1,3]恶嗪-2,4-二酮
产品名称
5-硝基-1H-苯并[D][1,3]恶嗪-2,4-二酮
CAS号20829-97-4
分子式C8H4N2O5
分子量208.13
InChIInChI=1S/C8H4N2O5/c11-7-6-4(9-8(12)15-7)2-1-3-5(6)10(13)14/h1-3H,(H,9,12)
InChIKeyBGBLNERNAKQTDN-UHFFFAOYSA-N
SmilesN1C2=CC=CC([N+]([O-])=O)=C2C(=O)OC1=O
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Assign. Shift(ppm)
A 12.37
B 8.564
C 8.519
D 7.303
Spectral Code: 1H NMR : 400 MHz in DMSO-d6
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ppm Int. Assign.
158.55 396 1
146.43 830 2 *
145.99 1000 3 *
142.39 660 4
131.18 528 5
124.50 547 6
116.61 735 7
111.04 792 8
Spectral Code: 13C NMR : DMSO-d6
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Spectral Code: IR : KBr disc
