3-Phenanthrol(605-87-8) IR1
Product Name3-Phenanthrol
CAS605-87-8
Molecular FormulaC14H10O
Molecular Weight194.23
InChIInChI=1S/C14H10O/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9,15H
InChIKey NGPOABOEXMDQBT-UHFFFAOYSA-N
SmilesC1=C2C(C3C(C=C2)=CC=CC=3)=CC(O)=C1
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Assign. Shift(ppm)
A 8.503 B 8.015 C 7.856 D 7.779 E *1 7.661 F *1 7.60 G *2 7.59 J *2 7.58 K 7.157 L 5.2 J(B,K)=2.4HZ. J(D,K)=8.5HZ. J(E,F)=8.9HZ. G AND J WERE CONFIRMED BY LAOCN PROGRAM.Spectral Code: 1H NMR : 400 MHz in CDCl3
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ppm Int. Assign.
154.32 509 1 132.43 542 2 131.89 462 3 130.30 945 4 129.53 409 5 128.54 945 6 126.82 581 7 126.75 999 8 * 126.55 1000 9 * 126.19 928 10 * 124.59 943 11 122.74 945 12 116.68 870 13 106.95 833 14 10010Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : KBr disc
