3-Fluoro-4-methoxybenzaldehyde(351-54-2) MS
Product Name3-Fluoro-4-methoxybenzaldehyde
CAS351-54-2
Molecular FormulaC8H7FO2
Molecular Weight154.14
InChIInChI=1S/C8H7FO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,1H3
InChIKey SOQCZBSZZLWDGU-UHFFFAOYSA-N
SmilesC(=O)C1=CC=C(OC)C(F)=C1
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MassMS-NW-6590 3-fluoro-p-anisaldehyde C8H7FO2 (Mass of molecular ion: 154)
Source Temperature: 240 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 1.5 28.0 3.0 29.0 3.4 31.0 2.6 37.0 1.2 38.0 1.6 39.0 1.7 50.0 3.5 51.0 2.7 53.0 1.0 56.0 2.1 57.0 8.3 61.0 1.8 62.0 2.0 63.0 4.8 68.0 2.0 69.0 1.8 74.0 2.5 75.0 5.8 76.0 1.0 77.0 6.1 81.0 5.5 82.0 9.0 83.0 14.2 92.0 1.0 93.0 1.1 94.0 2.9 95.0 16.6 96.0 2.2 97.0 2.4 110.0 9.8 111.0 4.0 125.0 16.1 126.0 2.6 138.0 1.1 153.0 100.0 154.0 82.6 155.0 7.8
in CDCl3
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H7 F O2 0.046 g : 0.5 ml CDCl3 3-fluoro-p-anisaldehyde 
Assign. Shift(ppm)
A 9.856 B 7.64 C 7.60 D 7.09 E 3.977
Hz ppm Int.883.81 9.869 161 881.62 9.844 165 690.67 7.712 39 689.87 7.703 25 688.70 7.690 55 687.89 7.681 75 686.43 7.665 112 684.59 7.644 100 682.32 7.619 47 680.93 7.604 90 680.42 7.598 87 679.03 7.582 47 675.29 7.541 104 673.54 7.521 75 642.85 7.178 64 634.57 7.086 78 626.44 6.995 49 356.18 3.977 1000
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
