3-NITROPHENETOLE(621-52-3) 1H NMR
Product Name3-NITROPHENETOLE
CAS621-52-3
Molecular FormulaC8H9NO3
Molecular Weight167.16
InChIInChI=1S/C8H9NO3/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3
InChIKey LFOLBPDHVGDKGJ-UHFFFAOYSA-N
SmilesC1(OCC)=CC=CC([N+]([O-])=O)=C1
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Assign. Shift(ppm)
A 7.783 B 7.70 C 7.41 D 7.213 E 4.104 F 1.455Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
159.61 453 1 149.27 164 2 129.95 826 3 121.52 1000 4 115.49 905 5 108.84 746 6 64.33 826 7 14.59 692 8Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film
