Cyclohexanone(108-94-1) 13C NMR
Product NameCyclohexanone
CAS108-94-1
Molecular FormulaC6H10O
Molecular Weight98.14
InChIInChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2
InChIKey JHIVVAPYMSGYDF-UHFFFAOYSA-N
SmilesC1(=O)CCCCC1
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MassMS2014-05106CW cyclohexanone C6H10O (Mass of molecular ion: 98)
Source Temperature: 250 °C Sample Temperature: 250 °C Reservoir, 70 eV
14.0 1.0 26.0 2.8 27.0 14.4 28.0 23.1 29.0 4.4 32.0 6.3 37.0 1.0 38.0 2.8 39.0 23.6 40.0 6.5 41.0 31.1 42.0 54.5 43.0 7.4 50.0 2.0 51.0 2.7 52.0 1.0 53.0 3.9 54.0 8.6 55.0 100.0 56.0 10.1 57.0 1.5 67.0 1.5 68.0 1.5 69.0 34.2 70.0 27.5 71.0 2.4 79.0 1.3 80.0 8.0 83.0 16.1 97.0 4.9 98.0 91.8 99.0 6.5
90 MHz in CDCl3
in CDCl3
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1H NMR 89.56 MHz C6 H10 O 0.04 ml : 0.5 ml CDCl3 cyclohexanone 
Assign. Shift(ppm)
A 2.35 B 2.07 to 1.55
Hz ppm Int.215.94 2.412 337 214.56 2.396 313 213.38 2.383 344 210.06 2.346 827 203.56 2.273 713 181.94 2.032 55 181.38 2.026 66 180.94 2.021 67 178.75 1.996 151 177.13 1.978 111 176.25 1.968 127 173.38 1.936 359 171.31 1.913 323 170.38 1.903 373 169.50 1.893 424 168.56 1.883 441 167.75 1.874 436 167.06 1.866 420 166.63 1.861 414 165.31 1.846 498 163.94 1.831 609 163.44 1.825 614 162.50 1.815 728 161.50 1.804 762 160.00 1.787 875 159.25 1.779 1000 157.88 1.763 775 152.94 1.708 172 151.13 1.688 138 150.19 1.677 131 149.56 1.670 121 146.63 1.638 66 146.25 1.633 70 145.69 1.627 70 145.13 1.621 69 144.63 1.615 65 144.19 1.610 62 143.81 1.606 65
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in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
ANION RADICAL, REDUCTION WITH K IN DME
