4-CYCLOHEXYLBUTYRIC ACID(4441-63-8) Raman
Product Name4-CYCLOHEXYLBUTYRIC ACID
CAS4441-63-8
Molecular FormulaC10H18O2
Molecular Weight170.25
InChIInChI=1S/C10H18O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h9H,1-8H2,(H,11,12)
InChIKey UVZMNGNFERVGRC-UHFFFAOYSA-N
SmilesC1(CCCC(O)=O)CCCCC1
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MassMS-IW-1091 cyclohexanebutyric acid C10H18O2 (Mass of molecular ion: 170)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
18.0 5.1 27.0 5.9 28.0 1.5 29.0 7.1 39.0 8.8 40.0 1.5 41.0 35.6 42.0 4.6 43.0 8.4 45.0 3.7 53.0 4.6 54.0 8.0 55.0 100.0 56.0 7.7 57.0 3.0 59.0 1.1 60.0 88.5 61.0 6.4 65.0 1.4 66.0 1.2 67.0 23.2 68.0 7.9 69.0 50.3 70.0 5.0 71.0 2.4 73.0 27.4 74.0 3.3 77.0 1.5 78.0 2.2 79.0 7.6 80.0 3.1 81.0 18.0 82.0 15.4 83.0 67.3 84.0 8.8 85.0 1.4 87.0 12.5 88.0 39.0 89.0 4.8 91.0 2.4 92.0 9.6 93.0 4.8 94.0 2.8 95.0 4.6 96.0 4.6 97.0 14.0 98.0 1.8 105.0 1.8 106.0 1.4 107.0 1.0 108.0 43.1 109.0 7.7 110.0 10.1 111.0 49.2 112.0 4.4 119.0 5.1 121.0 1.1 123.0 2.6 124.0 1.7 127.0 93.2 128.0 7.5 133.0 1.3 134.0 57.8 135.0 8.3 151.0 1.3 152.0 3.9 170.0 2.6 171.0 1.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H18 O2 0.037 g : 0.5 ml CDCl3 cyclohexanebutyric acid 
Assign. Shift(ppm)
A 11.0 B 2.319 C 1.75 to 1.60 D 1.30 to 1.10 E 0.90
Hz ppm Int.987.38 11.025 78 216.36 2.416 241 215.63 2.408 236 208.96 2.334 708 205.00 2.289 131 204.42 2.283 130 201.49 2.250 527 197.17 2.202 61 148.17 1.655 1000 114.48 1.279 535 106.13 1.186 731 101.00 1.128 537
in CDCl3
KBr disc
nujol mull
