p-Tolualdehyde(104-87-0) Raman
Product Namep-Tolualdehyde
CAS104-87-0
Molecular FormulaC8H8O
Molecular Weight120.15
InChIInChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3
InChIKey FXLOVSHXALFLKQ-UHFFFAOYSA-N
SmilesC(=O)C1=CC=C(C)C=C1
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MassMS-NW-8339 p-tolualdehyde C8H8O (Mass of molecular ion: 120)
Source Temperature: 250 °C Sample Temperature: 140 °C Reservoir, 75 eV
27.0 2.4 29.0 1.8 37.0 1.6 38.0 3.5 39.0 19.4 40.0 1.8 41.0 3.9 50.0 6.7 51.0 10.1 52.0 1.8 53.0 1.2 61.0 2.4 62.0 5.6 63.0 13.7 64.0 3.3 65.0 29.7 66.0 2.0 74.0 2.0 75.0 1.3 77.0 1.4 86.0 1.4 87.0 1.1 89.0 8.4 90.0 4.2 91.0 100.0 92.0 11.1 119.0 96.1 120.0 91.0 121.0 8.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H8 O 0.04 ml : 0.5 ml CDCl3 p-tolualdehyde 
Assign. Shift(ppm)
A 9.953 B 7.76 C 7.32 D 2.425
Hz ppm Int.891.50 9.955 391 699.90 7.815 204 698.29 7.797 81 693.82 7.747 83 691.85 7.725 337 690.23 7.707 59 659.77 7.367 165 659.25 7.361 231 658.67 7.355 219 658.08 7.348 132 657.35 7.340 84 656.62 7.332 62 653.25 7.294 53 652.59 7.287 66 652.00 7.281 106 651.34 7.273 164 650.68 7.266 190 650.24 7.261 123 649.58 7.254 53 648.93 7.246 32 217.60 2.430 836 217.24 2.426 1000 216.94 2.423 810 216.58 2.419 603
in CDCl3
liquid film
4880 A,200 M,liquid
