BIS(2,4-DINITROPHENYL)ACETIC ACID ETHYL ESTER(5833-18-1) IR1
Product NameBIS(2,4-DINITROPHENYL)ACETIC ACID ETHYL ESTER
CAS5833-18-1
Molecular FormulaC16H12N4O10
Molecular Weight420.29
InChIInChI=1S/C16H12N4O10/c1-2-30-16(21)15(11-5-3-9(17(22)23)7-13(11)19(26)27)12-6-4-10(18(24)25)8-14(12)20(28)29/h3-8,15H,2H2,1H3
InChIKey CMVIALRRHVVWIW-UHFFFAOYSA-N
SmilesC(C(=O)OCC)(C1=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O)C1C=CC([N+]([O-])=O)=CC=1[N+]([O-])=O
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Assign. Shift(ppm)
A 8.991 B 8.467 C 7.440 D 6.46 E 4.285 F 1.271Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
168.38 396 1 149.03 486 2 147.83 486 3 137.39 802 4 132.46 1000 5 127.75 856 6 121.33 658 7 63.32 360 8 50.64 369 9 13.93 387 10Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : KBr disc