alpha-Ionone(127-41-3) 1H NMR
Product Namealpha-Ionone
CAS127-41-3
Molecular FormulaC13H20O
Molecular Weight192.3
InChIInChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+
InChIKey UZFLPKAIBPNNCA-BQYQJAHWSA-N
SmilesCC(=O)/C=C/C1C(C)(C)CCC=C1C
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Assign. Shift(ppm)
A 6.60 B 6.07 C 5.50 D 2.27 E 2.251 F 2.04 G 1.57 J 1.67 to 1.03 K *1 0.932 L *1 0.858Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
198.26 604 1 148.93 960 2 132.38 1000 3 * 131.95 995 4 * 122.68 871 5 54.34 931 6 32.53 787 7 31.27 847 8 27.80 688 9 26.94 554 10 # 26.83 698 11 # 23.04 807 12 22.77 649 13Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film
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Spectral Code: Raman : 4880 A,200 M,liquid
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Spectral Code: ESR : ANION RADICAL, ELECTROLYTIC REDUCTION IN THF AT -70C
