9-PHENANTHROL(484-17-3) IR1
Product Name9-PHENANTHROL
CAS484-17-3
Molecular FormulaC14H10O
Molecular Weight194.23
InChIInChI=1S/C14H10O/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9,15H
InChIKey DZKIUEHLEXLYKM-UHFFFAOYSA-N
SmilesC1=C2C(C3C(C(O)=C2)=CC=CC=3)=CC=C1
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Assign. Shift(ppm)
A *1 8.661 B *1 8.583 C 8.312 D *2 7.68 E 7.68 F *2 7.644 G *3 7.52 J *3 7.50 K 6.990 L 5.55Spectral Code: 1H NMR : 400 MHz in CDCl3
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ppm Int. Assign.
149.55 423 1 132.71 338 2 131.59 254 3 127.21 648 4 126.94 718 5 * 126.76 1000 6 * 126.42 704 7 125.60 352 8 124.28 634 9 123.91 183 10 122.69 718 11 # 122.59 690 12 # 122.39 577 13 106.15 479 14Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : nujol mull
