ISOPROPYLCYCLOHEXANE(696-29-7) Raman
Product NameISOPROPYLCYCLOHEXANE
CAS696-29-7
Molecular FormulaC9H18
Molecular Weight126.24
InChIInChI=1S/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
InChIKey GWESVXSMPKAFAS-UHFFFAOYSA-N
SmilesC1(C(C)C)CCCCC1
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MassMS-NW-3641 isopropylcyclohexane C9H18 (Mass of molecular ion: 126)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 11.7 29.0 9.0 39.0 11.8 40.0 1.8 41.0 41.0 42.0 6.9 43.0 12.9 51.0 1.4 53.0 4.6 54.0 8.6 55.0 89.9 56.0 10.1 57.0 3.5 67.0 27.7 68.0 2.7 69.0 17.5 70.0 1.9 77.0 1.0 79.0 1.3 81.0 3.5 82.0 79.2 83.0 100.0 84.0 7.4 111.0 2.0 126.0 10.1 127.0 1.1
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C9 H18 0.04 ml : 0.5 ml CDCl3 isopropylcyclohexane 
Assign. Shift(ppm)
A 1.88 to 1.50 B 1.50 to 0.90 C 0.853
Hz ppm Int.153.31 1.712 140 151.44 1.691 143 147.94 1.652 128 146.00 1.631 101 141.94 1.585 63 138.06 1.542 37 137.31 1.534 36 136.75 1.527 35 135.69 1.516 33 134.88 1.507 32 134.00 1.497 31 133.69 1.493 30 133.25 1.488 30 132.69 1.482 30 132.19 1.476 30 130.06 1.453 32 127.63 1.426 39 127.25 1.421 38 126.69 1.415 37 125.75 1.405 35 124.81 1.394 33 124.44 1.390 33 124.06 1.386 34 123.75 1.382 35 123.00 1.374 34 120.06 1.341 39 118.81 1.327 45 117.56 1.313 44 116.63 1.303 47 115.38 1.289 41 113.50 1.268 36 112.94 1.262 35 110.00 1.229 48 109.69 1.225 48 105.25 1.176 75 104.94 1.172 75 103.94 1.161 75 103.44 1.155 75 102.75 1.148 75 102.44 1.144 75 101.19 1.130 69 96.25 1.075 102 94.31 1.054 92 92.75 1.036 88 90.88 1.015 114 89.56 1.000 103 88.00 0.983 89 87.56 0.978 88 87.13 0.973 88 82.63 0.923 53 81.81 0.914 54 78.81 0.880 1000 72.56 0.811 618
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1H NMR 399.65 MHz C9 H18 0.04 ml : 0.5 ml CDCl3 isopropylcyclohexane Assign. Shift(ppm)
A 1.77 to 1.60 B 1.393 C 1.19 D 1.14 E 1.03 F 0.94 G 0.847
Hz ppm Int.698.24 1.748 39 697.02 1.745 32 694.58 1.738 58 691.65 1.731 46 688.11 1.722 31 685.30 1.715 45 682.25 1.708 63 680.54 1.703 55 678.71 1.699 58 675.42 1.691 51 673.83 1.687 59 671.63 1.681 55 670.65 1.679 49 668.09 1.672 30 662.35 1.658 76 661.13 1.655 93 659.18 1.650 76 658.57 1.648 75 657.23 1.645 62 655.15 1.640 42 650.39 1.628 33 649.05 1.625 31 566.77 1.419 35 561.52 1.406 35 559.94 1.402 49 554.81 1.389 45 553.10 1.384 41 547.97 1.372 35 490.23 1.227 31 489.62 1.226 31 487.43 1.220 45 477.17 1.194 42 474.73 1.188 67 472.53 1.183 38 464.97 1.164 34 461.67 1.156 52 460.82 1.154 48 458.50 1.148 30 449.58 1.125 44 437.01 1.094 33 404.42 1.012 41 401.73 1.006 39 399.29 1.000 38 391.85 0.981 37 389.77 0.976 39 388.92 0.974 34 380.98 0.954 57 377.93 0.946 64 368.16 0.922 39 364.99 0.914 42 342.04 0.856 1000 339.72 0.851 43 335.21 0.839 903
in CDCl3
liquid film
4880 A,200 M,liquid
