2-Methylbenzaldehyde(529-20-4) Raman
Product Name2-Methylbenzaldehyde
CAS529-20-4
Molecular FormulaC8H8O
Molecular Weight120.15
InChIInChI=1S/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3
InChIKey BTFQKIATRPGRBS-UHFFFAOYSA-N
SmilesC(=O)C1=CC=CC=C1C
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MassMS-NW-1492 o-tolualdehyde C8H8O (Mass of molecular ion: 120)
Source Temperature: 250 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 2.7 28.0 1.4 29.0 2.2 37.0 1.9 38.0 3.8 39.0 19.9 40.0 1.8 41.0 4.1 43.0 1.2 45.0 1.1 50.0 6.9 51.0 9.9 52.0 2.0 53.0 1.0 59.0 1.4 61.0 2.4 62.0 5.6 63.0 13.2 64.0 3.4 65.0 26.6 66.0 1.8 74.0 2.0 75.0 1.3 77.0 1.4 86.0 1.4 87.0 1.0 89.0 7.9 90.0 4.3 91.0 100.0 92.0 10.3 119.0 94.6 120.0 79.0 121.0 7.1 136.0 1.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H8 O 0.097 g : 0.5 ml CDCl3 o-tolualdehyde 
Assign. Shift(ppm)
A 10.235 B 7.768 C 7.447 D 7.334 E 7.231 F 2.641
Hz ppm Int.4090.58 10.236 569 3108.98 7.780 175 3107.60 7.776 148 3101.35 7.761 187 3099.98 7.757 160 2985.08 7.470 93 2983.86 7.467 82 2977.75 7.451 199 2976.23 7.448 165 2970.12 7.432 148 2968.90 7.429 124 2939.00 7.354 97 2938.39 7.353 116 2937.93 7.352 114 2930.91 7.334 175 2930.30 7.333 176 2923.28 7.315 77 2922.21 7.312 70 2892.91 7.239 187 2885.44 7.220 160 2884.98 7.219 154 1055.45 2.641 1000
in CDCl3
liquid film
