2-Chloro-1,4-naphthoquinone(1010-60-2) 1H NMR
Molecular FormulaC10H5ClO2
Molecular Weight192.6
InChIInChI=1S/C10H5ClO2/c11-8-5-9(12)6-3-1-2-4-7(6)10(8)13/h1-5H
InChIKey CCTJHVLTAJTPBV-UHFFFAOYSA-N
SmilesC1(=O)C2=C(C=CC=C2)C(=O)C=C1Cl
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Parameter ppm Hz
D(A) 8.105
D(B) 7.775
D(C) 7.783
D(D) 8.027
J(A,B) 7.76
J(A,C) 1.35
J(A,D) 0.52
J(B,C) 7.55
J(B,D) 1.25
J(C,D) 7.80
D(E) 7.551
CRECELY,R.W. ET AL. J.MOL.SPECTROSC. 32, 407 (1969)
Spectral Code: 1H NMR : parameter in THF
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Spectral Code: IR : KBr disc