4-(Methylthio)benzaldehyde(3446-89-7) MS
Product Name4-(Methylthio)benzaldehyde
CAS3446-89-7
Molecular FormulaC8H8OS
Molecular Weight152.21
InChIInChI=1S/C8H8OS/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
InChIKey QRVYABWJVXXOTN-UHFFFAOYSA-N
SmilesC(=O)C1=CC=C(SC)C=C1
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MassMS-NW-7796 p-(methylthio)benzaldehyde C8H8OS (Mass of molecular ion: 152)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 1.1 28.0 2.6 29.0 1.9 38.0 1.6 39.0 5.4 45.0 24.7 46.0 1.9 47.0 2.1 50.0 7.6 51.0 9.1 52.0 1.0 57.0 1.0 58.0 2.4 61.0 1.3 62.0 4.0 63.0 4.9 65.0 6.5 69.0 7.5 74.0 3.5 75.0 3.0 76.0 2.9 77.0 10.5 78.0 3.9 79.0 12.8 81.0 1.1 82.0 3.4 91.0 3.2 97.0 1.4 105.0 1.3 107.0 2.8 108.0 9.0 109.0 8.9 110.0 1.6 121.0 2.0 122.0 1.3 123.0 16.1 124.0 3.5 125.0 2.1 136.0 1.9 137.0 2.0 151.0 85.4 152.0 100.0 153.0 14.3 154.0 9.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H8 O S 0.05 ml : 0.5 ml CDCl3 p-(methylthio)benzaldehyde 
Assign. Shift(ppm)
A 9.867 B 7.705 C 7.261 D 2.478
Hz ppm Int.883.75 9.868 250 697.38 7.787 33 695.50 7.766 170 693.56 7.745 70 692.00 7.727 21 691.19 7.718 23 690.94 7.715 23 688.81 7.692 88 686.81 7.669 260 685.00 7.649 57 656.00 7.325 53 654.19 7.305 225 652.38 7.285 78 647.56 7.231 87 645.94 7.213 168 644.00 7.191 36 643.88 7.190 36 222.00 2.479 1000
in CDCl3
liquid film
