CYCLOHEXYL BUTYRATE(1551-44-6) IR1
Product NameCYCLOHEXYL BUTYRATE
CAS1551-44-6
Molecular FormulaC10H18O2
Molecular Weight170.25
InChIInChI=1S/C10H18O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h9H,2-8H2,1H3
InChIKey VZHUBBUZNIULNM-UHFFFAOYSA-N
SmilesC(OC1CCCCC1)(=O)CCC
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MassMS-NW-0011 cyclohexyl butyrate C10H18O2 (Mass of molecular ion: 170)
Source Temperature: 180 °C Sample Temperature: 65 °C Reservoir, 75 eV
15.0 2.1 17.0 1.3 18.0 5.8 26.0 1.1 27.0 15.5 28.0 4.0 29.0 12.1 31.0 1.4 32.0 1.0 39.0 10.4 40.0 1.6 41.0 28.5 42.0 5.6 43.0 59.0 44.0 3.1 45.0 1.0 51.0 1.0 53.0 2.9 54.0 15.8 55.0 28.4 56.0 2.9 57.0 24.6 58.0 3.1 59.0 1.6 60.0 3.8 66.0 1.0 67.0 60.1 68.0 3.8 70.0 2.3 71.0 82.6 72.0 5.5 73.0 2.7 74.0 1.1 75.0 5.4 77.0 1.3 79.0 1.8 81.0 11.4 82.0 100.0 83.0 30.8 84.0 1.9 86.0 4.9 87.0 2.6 88.0 12.0 89.0 65.8 90.0 3.3 99.0 6.2 100.0 1.3 102.0 1.5 127.0 4.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H18 O2 0.04 ml : 0.5 ml CDCl3 cyclohexyl butyrate 
Assign. Shift(ppm)
A 4.76 B 2.25 C 2.08 to 1.08 D 1.65 E 0.96
Hz ppm Int.427.63 4.775 64 210.38 2.350 193 209.31 2.338 198 202.81 2.265 409 202.31 2.259 435 195.69 2.186 366 195.00 2.178 358 175.63 1.962 42 175.13 1.956 44 174.69 1.951 43 173.63 1.939 41 166.06 1.855 214 164.13 1.833 187 159.44 1.781 286 159.31 1.779 286 158.56 1.771 333 155.81 1.740 221 152.63 1.705 328 151.69 1.694 423 144.69 1.616 338 143.94 1.608 334 143.44 1.602 351 140.25 1.566 188 138.06 1.542 252 136.88 1.529 341 134.69 1.504 202 133.56 1.492 215 131.75 1.472 240 131.38 1.467 241 129.88 1.451 257 125.31 1.400 348 122.81 1.372 282 120.13 1.342 201 119.63 1.336 202 117.94 1.317 216 117.44 1.312 219 116.00 1.296 237 111.25 1.243 86 108.06 1.207 56 107.56 1.201 50 105.88 1.183 41 104.94 1.172 44 104.25 1.165 42 103.69 1.158 37 97.38 1.088 35 96.75 1.081 32 91.69 1.024 514 89.56 1.000 44 88.81 0.992 39 88.19 0.985 37 84.81 0.947 1000 81.94 0.915 34 78.00 0.871 212 77.25 0.863 284 76.25 0.852 130
in CDCl3
liquid film
4880 A,200 M,liquid
