alpha-Ionone(127-41-3) IR1
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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![](https://www.chemicalbook.com/Spectrum/127-41-3_1HNMR_0.jpg)
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 0.858
Spectral Code: 1H NMR : 90 MHz in CDCl3
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![](https://www.chemicalbook.com/Spectrum/127-41-3_13CNMR_0.jpg)
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 13
Spectral Code: 13C NMR : in CDCl3
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![](https://www.chemicalbook.com/Spectrum/127-41-3_IR1_0.jpg)
Spectral Code: IR : liquid film
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![](https://www.chemicalbook.com/Spectrum/127-41-3_Raman_0.jpg)
Spectral Code: Raman : 4880 A,200 M,liquid
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![](https://www.chemicalbook.com/Spectrum/127-41-3_ESR_0.jpg)
Spectral Code: ESR : ANION RADICAL, ELECTROLYTIC REDUCTION IN THF AT -70C