2,3,4-TRICHLOROPHENOL(15950-66-0) IR1
Molecular FormulaC6H3Cl3O
Molecular Weight197.45
InChIInChI=1S/C6H3Cl3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H
InChIKey HSQFVBWFPBKHEB-UHFFFAOYSA-N
SmilesC1(O)=CC=C(Cl)C(Cl)=C1Cl
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Assign. Shift(ppm)
A 7.274
B 6.915
C 5.62
J(A,B)=9.0HZ
Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
151.14 622 1
131.13 264 2
128.77 945 3
125.12 428 4
120.30 383 5
114.79 1000 6
Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : KBr disc