Benzaldehyde dimethyl acetal(1125-88-8) MS
Product NameBenzaldehyde dimethyl acetal
CAS1125-88-8
Molecular FormulaC9H12O2
Molecular Weight152.19
InChIInChI=1S/C9H12O2/c1-10-9(11-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3
InChIKey HEVMDQBCAHEHDY-UHFFFAOYSA-N
SmilesC1(C(OC)OC)=CC=CC=C1
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MassMS-NW-6626 benzaldehyde dimethyl acetal C9H12O2 (Mass of molecular ion: 152)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 2.3 28.0 1.3 29.0 2.2 31.0 1.6 39.0 2.0 47.0 2.2 50.0 2.8 51.0 7.1 52.0 1.8 59.0 2.7 63.0 1.3 65.0 1.3 74.0 1.6 75.0 11.3 76.0 1.1 77.0 22.7 78.0 3.7 89.0 1.4 91.0 10.2 92.0 1.2 105.0 10.3 106.0 2.8 121.0 100.0 122.0 9.5 151.0 1.5 152.0 1.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H12 O2 0.05 ml : 0.5 ml CDCl3 benzaldehyde dimethyl acetal 
Assign. Shift(ppm)
A 7.42 to 7.31 B 5.376 C 3.302
Hz ppm Int.669.19 7.472 39 668.56 7.465 33 667.56 7.454 37 664.94 7.425 66 664.44 7.419 59 662.88 7.402 97 662.38 7.396 101 660.63 7.377 84 659.06 7.359 115 658.38 7.352 100 657.75 7.345 79 654.81 7.312 64 653.75 7.300 57 651.25 7.272 58 481.56 5.377 109 295.75 3.303 1000
in CDCl3
liquid film
