2-(4-Methylphenyl)ethanol(699-02-5) MS
Product Name2-(4-Methylphenyl)ethanol
CAS699-02-5
Molecular FormulaC9H12O
Molecular Weight136.19
InChIInChI=1S/C9H12O/c1-8-2-4-9(5-3-8)6-7-10/h2-5,10H,6-7H2,1H3
InChIKey DAVFJRVIVZOKKS-UHFFFAOYSA-N
SmilesC1(CCO)=CC=C(C)C=C1
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MassMS-NW-6093 4-methylphenethyl alcohol C9H12O (Mass of molecular ion: 136)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 3.1 28.0 2.9 31.0 1.9 39.0 4.5 41.0 1.2 50.0 1.6 51.0 3.9 52.0 1.3 53.0 1.8 63.0 2.3 65.0 3.2 77.0 10.6 78.0 3.3 79.0 9.8 89.0 1.1 91.0 10.7 92.0 1.9 103.0 6.5 104.0 3.1 105.0 100.0 106.0 22.9 107.0 1.9 115.0 1.4 117.0 2.5 118.0 1.9 136.0 27.4 137.0 2.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H12 O 0.05 ml : 0.5 ml CDCl3 4-methylphenethyl alcohol 
Assign. Shift(ppm)
A 7.08 B 3.725 C 2.756 D 2.53 E 2.292
Hz ppm Int.2837.04 7.099 61 2827.64 7.076 1000 2822.14 7.062 61 2819.95 7.057 60 2818.85 7.054 71 1495.61 3.743 99 1488.77 3.726 187 1482.06 3.709 109 1108.15 2.773 236 1101.32 2.756 423 1094.48 2.739 227 1010.25 2.528 102 916.14 2.293 973
in CDCl3
liquid film
4880 A,200 M,liquid
