BENZALDEHYDE DIETHYL ACETAL(774-48-1) MS
Product NameBENZALDEHYDE DIETHYL ACETAL
CAS774-48-1
Molecular FormulaC11H16O2
Molecular Weight180.24
InChIInChI=1S/C11H16O2/c1-3-12-11(13-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
InChIKey MAQMEXSLUSZDQM-UHFFFAOYSA-N
SmilesC1(C(OCC)OCC)=CC=CC=C1
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MassMS-IW-9324 alpha,alpha-diethoxytoluene C11H16O2 (Mass of molecular ion: 180)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.4 26.0 3.1 27.0 9.4 28.0 6.7 29.0 17.9 31.0 3.5 39.0 2.8 43.0 2.5 44.0 2.2 45.0 2.2 47.0 11.3 50.0 4.1 51.0 12.2 52.0 3.0 53.0 1.0 63.0 1.4 65.0 1.1 74.0 1.3 75.0 7.4 76.0 1.4 77.0 31.6 78.0 5.3 79.0 43.1 80.0 2.8 89.0 1.8 90.0 1.6 91.0 3.6 92.0 1.6 103.0 5.3 105.0 20.7 106.0 10.9 107.0 74.0 108.0 5.8 123.0 1.9 135.0 100.0 136.0 10.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C11 H16 O2 0.05 ml : 0.5 ml CDCl3 alpha,alpha-diethoxytoluene 
Assign. Shift(ppm)
A 7.471 B 7.348 C 7.300 D 5.504 E *1 3.611 F *1 3.531 G 1.232
Hz ppm Int.
2992.40 7.488 135 2990.88 7.484 166 2984.16 7.467 193 2983.55 7.466 193 2945.40 7.370 71 2943.88 7.367 104 2942.05 7.362 46 2936.86 7.349 232 2935.33 7.345 117 2930.76 7.334 88 2929.53 7.331 160 2923.58 7.316 69 2922.06 7.312 117 2920.53 7.308 69 2917.48 7.301 40 2914.89 7.294 112 2907.56 7.276 31 2199.86 5.505 277 1459.81 3.653 45 1452.64 3.635 129 1450.20 3.629 77 1445.62 3.618 137 1443.18 3.612 213 1438.45 3.600 56 1436.16 3.594 210 1428.99 3.576 76 1425.63 3.568 73 1418.61 3.550 210 1416.17 3.544 53 1411.59 3.533 215 1409.15 3.526 132 1404.57 3.515 80 1402.13 3.509 127 1394.96 3.491 43 499.57 1.251 615 492.55 1.233 1000 485.38 1.215 584
in CDCl3
liquid film
