4-Methylanisole(104-93-8) 13C NMR
Product Name4-Methylanisole
CAS104-93-8
Molecular FormulaC8H10O
Molecular Weight122.16
InChIInChI=1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3
InChIKey CHLICZRVGGXEOD-UHFFFAOYSA-N
SmilesC1(OC)=CC=C(C)C=C1
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MassMS-NW-0650 p-methoxytoluene C8H10O (Mass of molecular ion: 122)
Source Temperature: 240 °C Sample Temperature: 140 °C Reservoir, 75 eV
15.0 1.1 27.0 3.3 38.0 1.2 39.0 6.2 41.0 1.3 50.0 3.7 51.0 7.4 52.0 4.2 53.0 3.8 62.0 1.4 63.0 3.5 64.0 1.0 65.0 4.6 77.0 24.1 78.0 6.8 79.0 20.4 80.0 1.4 89.0 1.7 90.0 1.5 91.0 17.3 92.0 6.3 93.0 1.2 107.0 27.0 108.0 2.4 121.0 39.2 122.0 100.0 123.0 8.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H10 O 10.4 mol% in CDCl3 p-methoxytoluene 
Assign. Shift(ppm)
A 6.78 B 7.05 C 3.729 D 2.26
Hz ppm Int.636.94 7.112 74 636.25 7.105 81 635.56 7.097 45 634.63 7.087 32 633.94 7.079 27 630.44 7.040 37 629.81 7.033 42 628.06 7.013 150 627.44 7.006 133 625.50 6.985 27 624.88 6.978 24 613.19 6.847 27 610.63 6.819 200 608.31 6.793 53 604.13 6.746 36 601.88 6.721 102 334.00 3.730 1000 202.44 2.261 452
in CDCl3
CCl4 solution
liquid film
4880 A,100M,liquid
