3-Methylphenethyl alcohol(1875-89-4) Raman
Product Name3-Methylphenethyl alcohol
CAS1875-89-4
Molecular FormulaC9H12O
Molecular Weight136.19
InChIInChI=1S/C9H12O/c1-8-3-2-4-9(7-8)5-6-10/h2-4,7,10H,5-6H2,1H3
InChIKey KWHVBVJDKLSOTB-UHFFFAOYSA-N
SmilesC1(CCO)=CC=CC(C)=C1
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MassMS-NW-5631 m-methylphenethyl alcohol C9H12O (Mass of molecular ion: 136)
Source Temperature: 280 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 4.7 28.0 2.6 29.0 1.0 31.0 3.5 38.0 1.1 39.0 7.0 41.0 1.5 43.0 1.5 50.0 2.1 51.0 5.0 52.0 1.9 53.0 2.5 62.0 1.2 63.0 3.6 65.0 5.0 77.0 14.4 78.0 4.8 79.0 12.8 80.0 1.0 89.0 1.7 91.0 28.4 92.0 7.1 93.0 1.3 102.0 1.0 103.0 7.9 104.0 3.3 105.0 100.0 106.0 51.4 107.0 4.8 115.0 2.1 117.0 3.7 118.0 5.1 119.0 1.0 136.0 44.2 137.0 4.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H12 O 0.04 ml : 0.5 ml CDCl3 m-methylphenethyl alcohol 
Assign. Shift(ppm)
A 7.19 B 7.03 C *1 7.00 D *1 6.99 E 2.800 F 3.794 G 2.322 J 1.80 CONFIRMED BY LAOCN PROGRAM.
Hz ppm Int.644.38 7.195 72 643.50 7.186 66 642.19 7.171 91 637.31 7.117 273 635.63 7.098 32 633.94 7.079 37 630.25 7.038 380 629.75 7.032 380 627.31 7.005 120 626.69 6.998 116 624.56 6.974 74 623.19 6.959 53 622.75 6.954 60 622.25 6.948 57 620.81 6.932 30 347.25 3.878 207 346.81 3.873 209 340.63 3.804 428 340.19 3.799 623 333.94 3.729 303 256.94 2.869 197 250.38 2.796 334 243.69 2.721 146 208.31 2.326 958 207.81 2.321 952 161.56 1.804 1000
in CDCl3
liquid film
4880 A,200 M,liquid
