Product NameCyclohexylbenzene
CAS827-52-1
Molecular FormulaC12H16
Molecular Weight160.26
InChIInChI=1S/C12H16/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKey IGARGHRYKHJQSM-UHFFFAOYSA-N
SmilesC1(C2CCCCC2)=CC=CC=C1
Mass
MS-NW-3826 cyclohexylbenzene C12H16 (Mass of molecular ion: 160)
Source Temperature: 270 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 5.4 29.0 3.3 39.0 7.9 41.0 10.5 50.0 2.0 51.0 5.8 52.0 1.8 53.0 2.8 54.0 2.9 55.0 3.0 63.0 2.8 64.0 1.1 65.0 5.6 67.0 6.9 68.0 2.4 69.0 5.2 76.0 1.0 77.0 7.5 78.0 8.9 79.0 2.9 81.0 1.6 82.0 5.6 89.0 1.6 91.0 51.7 92.0 21.5 93.0 1.9 102.0 1.6 103.0 6.9 104.0 100.0 105.0 14.1 106.0 1.2 115.0 10.4 116.0 3.5 117.0 80.0 118.0 15.2 119.0 1.7 128.0 1.8 129.0 2.3 130.0 1.2 131.0 8.3 132.0 2.8 145.0 1.4 160.0 69.8 161.0 9.4
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C12 H16 | 0.04 ml : 0.5 ml CDCl3 |
cyclohexylbenzene |
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Assign. Shift(ppm) |
Hz ppm Int.
661.88 7.391 31 659.25 7.361 41 655.38 7.318 31 653.94 7.302 79 652.00 7.281 109 650.88 7.268 96 649.75 7.255 188 646.69 7.221 1000 645.75 7.211 908 642.75 7.177 257 642.31 7.172 187 641.06 7.158 82 640.50 7.152 84 639.88 7.145 77 638.81 7.133 69 637.81 7.122 82 637.31 7.117 57 222.75 2.488 35 162.69 1.817 205 132.75 1.483 97 124.25 1.388 207 115.94 1.295 173
in CDCl3
liquid film
4880 A,200 M,liquid
Cyclohexylbenzene(827-52-1) 1H NMR Atlas of Related Products
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