PHENYLACETALDEHYDE DIMETHYL ACETAL(101-48-4) IR1
Product NamePHENYLACETALDEHYDE DIMETHYL ACETAL
CAS101-48-4
Molecular FormulaC10H14O2
Molecular Weight166.22
InChIInChI=1S/C10H14O2/c1-11-10(12-2)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
InChIKey WNJSKZBEWNVKGU-UHFFFAOYSA-N
SmilesC1(CC(OC)OC)=CC=CC=C1
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MassMS-IW-4790 phenylacetaldehyde dimethyl acetal C10H14O2 (Mass of molecular ion: 166)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.6 28.0 1.0 29.0 2.7 31.0 6.6 32.0 2.6 39.0 4.4 41.0 1.2 47.0 13.6 50.0 1.8 51.0 4.5 62.0 1.0 63.0 3.4 64.0 1.0 65.0 10.1 74.0 1.0 75.0 100.0 76.0 5.1 77.0 5.6 78.0 1.3 79.0 1.0 89.0 3.4 90.0 2.6 91.0 44.1 92.0 4.6 102.0 1.3 103.0 12.1 104.0 1.8 105.0 5.5 115.0 1.1 117.0 2.2 118.0 1.0 119.0 6.6 120.0 1.6 134.0 29.0 135.0 22.6 136.0 2.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H14 O2 0.05 ml : 0.5 ml CDCl3 phenylacetaldehyde dimethyl acetal 
Assign. Shift(ppm)
A 7.273 B 7.23 C 7.20 D 4.532 E 3.319 F 2.902
Hz ppm Int.2916.99 7.299 38 2915.77 7.296 55 2909.42 7.280 96 2908.57 7.278 133 2907.47 7.276 98 2903.44 7.265 55 2901.49 7.261 158 2892.58 7.238 121 2890.87 7.234 182 2888.43 7.228 45 2885.38 7.220 97 2884.16 7.217 124 2879.27 7.205 36 2876.95 7.199 77 1817.14 4.547 82 1811.52 4.533 160 1805.79 4.519 84 1326.66 3.320 1000 1162.72 2.910 205 1157.10 2.896 200
in CDCl3
liquid film
4880 A,200 M,liquid
