2,2-BIS(4-OXOCYCLOHEXYL)PROPANE(7418-16-8) IR2
Product Name2,2-BIS(4-OXOCYCLOHEXYL)PROPANE
CAS7418-16-8
Molecular FormulaC15H24O2
Molecular Weight236.35
InChIInChI=1S/C15H24O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h11-12H,3-10H2,1-2H3
InChIKey HAWVCXABNZBPED-UHFFFAOYSA-N
SmilesC(C1CCC(=O)CC1)(C1CCC(=O)CC1)(C)C
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MassMS-IW-7346 4,4'-isopropylidenedicyclohexanone C15H24O2 (Mass of molecular ion: 236)
Source Temperature: 140 °C Sample Temperature: 130 °C Direct, 75 eV
27.0 3.4 28.0 1.6 29.0 4.2 39.0 4.3 40.0 1.0 41.0 23.6 42.0 1.8 43.0 18.0 53.0 3.5 54.0 2.1 55.0 41.8 56.0 3.5 57.0 3.5 59.0 5.7 65.0 1.0 67.0 7.9 68.0 2.9 69.0 35.0 70.0 4.7 71.0 1.2 77.0 1.5 79.0 8.2 80.0 1.3 81.0 14.2 82.0 2.6 83.0 53.5 84.0 3.6 91.0 1.3 93.0 8.0 94.0 1.1 95.0 11.9 96.0 4.3 97.0 29.2 98.0 44.8 99.0 4.4 105.0 1.0 109.0 2.2 110.0 1.4 111.0 2.8 121.0 20.9 122.0 2.3 123.0 3.4 125.0 1.7 137.0 8.6 138.0 11.2 139.0 100.0 140.0 10.1 236.0 24.3 237.0 4.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C15 H24 O2 0.035 g : 0.5 ml CDCl3 4,4'-isopropylidenedicyclohexanone 
Assign. Shift(ppm)
A 2.439 B 2.335 C 2.075 D 1.805 E 1.520 F 0.858 ASSIGNED BY C-H COSY
Hz ppm Int.986.08 2.468 35 983.52 2.461 47 981.45 2.456 40 973.14 2.435 47 971.07 2.430 76 968.87 2.425 92 966.55 2.419 74 948.49 2.374 53 942.63 2.359 59 934.20 2.338 63 928.47 2.324 66 920.41 2.304 32 914.43 2.289 34 840.82 2.104 36 837.89 2.097 49 834.96 2.090 48 831.91 2.082 41 830.08 2.078 37 827.51 2.071 49 824.71 2.064 57 821.66 2.056 53 818.73 2.049 35 725.83 1.817 33 722.90 1.809 58 711.06 1.780 39 614.50 1.538 56 610.23 1.527 53 602.17 1.507 46 598.14 1.497 44 343.14 0.859 1000
in CDCl3
KBr disc
nujol mull
