1-(4-METHOXYPHENYL)-1-CYCLOHEXANECARBOXYLIC ACID(7469-83-2) IR1
Product Name1-(4-METHOXYPHENYL)-1-CYCLOHEXANECARBOXYLIC ACID
CAS7469-83-2
Molecular FormulaC14H18O3
Molecular Weight234.29
InChIInChI=1S/C14H18O3/c1-17-12-7-5-11(6-8-12)14(13(15)16)9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3,(H,15,16)
InChIKey JKJAJSWMKTWWJS-UHFFFAOYSA-N
SmilesC1(C2=CC=C(OC)C=C2)(C(O)=O)CCCCC1
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MassMS-NW-6677 1-(p-methoxyphenyl)-1-cyclohexanecarboxylic acid C14H18O3 (Mass of molecular ion: 234)
Source Temperature: 130 °C Sample Temperature: 90 °C Direct, 75 eV
15.0 1.2 18.0 3.6 27.0 2.9 28.0 3.5 29.0 2.9 39.0 4.9 41.0 5.5 43.0 1.4 44.0 1.0 45.0 1.3 50.0 1.4 51.0 3.5 52.0 1.4 53.0 3.3 55.0 4.5 63.0 3.0 64.0 1.6 65.0 4.0 66.0 1.0 67.0 1.3 76.0 1.2 77.0 8.7 78.0 3.9 79.0 4.0 81.0 13.0 82.0 1.0 89.0 2.6 90.0 2.7 91.0 7.9 92.0 1.7 102.0 1.8 103.0 3.3 104.0 1.4 105.0 1.6 107.0 2.1 108.0 1.5 109.0 1.9 115.0 6.3 116.0 2.0 117.0 3.1 118.0 1.8 119.0 1.4 121.0 92.6 122.0 8.8 127.0 1.4 128.0 2.8 129.0 2.8 130.0 1.1 131.0 1.8 132.0 1.5 133.0 7.3 134.0 2.3 135.0 2.1 144.0 1.1 145.0 3.1 146.0 1.1 147.0 7.9 148.0 1.7 159.0 3.4 160.0 3.2 173.0 1.4 178.0 2.0 187.0 1.4 188.0 4.5 189.0 100.0 190.0 15.2 191.0 1.7 234.0 22.4 235.0 3.9
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C14 H18 O3 0.040 g : 0.5 ml DMSO-d6 1-(p-methoxyphenyl)-1-cyclohexanecarboxylic acid 
Assign. Shift(ppm)
A 12.3 B 7.304 C 6.893 D 3.722 E 2.33 F 1.58 G 1.42 J 1.23
Hz ppm Int.4896.77 12.253 120 2922.24 7.312 263 2913.45 7.291 282 2757.57 6.900 289 2748.78 6.878 260 1488.04 3.724 1000 933.42 2.336 120 927.74 2.322 90 922.06 2.308 119 644.01 1.612 167 641.27 1.605 154 633.21 1.585 314 622.03 1.557 147 621.30 1.555 146 620.93 1.554 145 569.46 1.425 109 558.66 1.398 98 558.11 1.397 99 557.74 1.396 99 494.18 1.237 56 493.82 1.236 56 493.45 1.235 56
KBr disc
nujol mull
