4-Chloro-3-methylphenol(59-50-7) 13C NMR
Product Name4-Chloro-3-methylphenol
CAS59-50-7
Molecular FormulaC7H7ClO
Molecular Weight142.58
InChIInChI=1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3
InChIKey CFKMVGJGLGKFKI-UHFFFAOYSA-N
SmilesC1(O)=CC=C(Cl)C(C)=C1
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Assign. Shift(ppm)
A 7.152 B 6.688 C 6.600 D 5.15 E 2.289 J(A,C)=8.4HZ J(B,C)=3.1HZ J(B,A)=J(B,E)=0.7HZ J(C,E)=0.5HZ 400MHZ : HSP-43-728Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
153.46 915 1 137.52 711 2 129.92 1000 3 126.30 522 4 117.88 826 5 114.17 826 6 20.07 512 7Spectral Code: 13C NMR : in CDCl3
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Spectral Code: Raman : 4880 A,100M,powder
