4-N-BUTOXYBENZALDEHYDE(5736-88-9) MS
Product Name4-N-BUTOXYBENZALDEHYDE
CAS5736-88-9
Molecular FormulaC11H14O2
Molecular Weight178.23
InChIInChI=1S/C11H14O2/c1-2-3-8-13-11-6-4-10(9-12)5-7-11/h4-7,9H,2-3,8H2,1H3
InChIKey XHWMNHADTZZHGI-UHFFFAOYSA-N
SmilesC(=O)C1=CC=C(OCCCC)C=C1
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MassMS-NW-9564 p-butoxybenzaldehyde C11H14O2 (Mass of molecular ion: 178)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 2.5 29.0 11.1 39.0 5.6 41.0 12.9 50.0 1.3 51.0 3.7 55.0 1.9 56.0 4.0 57.0 9.8 63.0 1.4 65.0 6.8 66.0 1.0 76.0 1.0 77.0 5.1 93.0 5.4 94.0 2.0 95.0 2.1 105.0 2.6 121.0 100.0 122.0 62.8 123.0 16.1 124.0 1.3 135.0 1.5 178.0 31.5 179.0 4.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C11 H14 O2 0.05 ml : 0.5 ml CDCl3 p-butoxybenzaldehyde 
Assign. Shift(ppm)
A 9.858 B 7.807 C 6.974 D 4.019 E 1.778 F 1.492 G 0.977
Hz ppm Int.3939.97 9.859 621 3127.29 7.826 80 3124.54 7.819 561 3122.56 7.814 193 3120.27 7.808 31 3117.83 7.802 197 3115.69 7.797 586 3113.10 7.790 89 2794.04 6.992 70 2791.44 6.985 490 2789.46 6.980 167 2784.58 6.968 159 2782.75 6.963 464 2780.00 6.957 69 1612.85 4.036 340 1606.45 4.020 638 1599.88 4.004 352 725.86 1.817 77 719.45 1.801 195 716.25 1.793 71 713.04 1.785 193 712.13 1.782 225 710.60 1.779 155 709.84 1.777 149 705.41 1.766 121 704.19 1.763 214 697.78 1.746 101 615.39 1.540 51 607.91 1.522 165 602.26 1.507 98 600.43 1.503 240 594.79 1.489 103 592.80 1.484 249 587.46 1.470 51 585.48 1.465 163 578.00 1.447 51 397.64 0.995 572 390.32 0.977 1000 382.84 0.958 499
in CDCl3
liquid film
