2-BENZYL-1,3-DIOXOLANE(101-49-5) IR1
Product Name2-BENZYL-1,3-DIOXOLANE
CAS101-49-5
Molecular FormulaC10H12O2
Molecular Weight164.2
InChIInChI=1S/C10H12O2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5,10H,6-8H2
InChIKey SSZACLYPEFCREM-UHFFFAOYSA-N
SmilesO1CCOC1CC1=CC=CC=C1
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MassMS-IW-2171 2-benzyl-1,3-dioxolane C10H12O2 (Mass of molecular ion: 164)
Source Temperature: 210 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 1.2 29.0 1.0 39.0 2.2 45.0 18.0 51.0 2.1 63.0 1.3 65.0 3.6 73.0 100.0 74.0 3.8 77.0 2.0 78.0 1.0 91.0 14.8 92.0 1.7 103.0 1.4 104.0 1.6 105.0 2.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H12 O2 0.05 ml : 0.5 ml CDCl3 2-benzyl-1,3-dioxolane 
Assign. Shift(ppm)
A 7.30 to 7.24 B 7.20 C 5.035 D *1 3.882 E *1 3.780 F 2.944
Hz ppm Int.2923.22 7.315 34 2915.41 7.295 140 2907.96 7.277 424 2901.25 7.260 1000 2899.54 7.256 827 2893.07 7.240 234 2886.11 7.222 152 2884.16 7.217 154 2877.56 7.201 194 2874.02 7.192 81 2870.36 7.183 106 2016.97 5.047 204 2012.21 5.035 392 2007.45 5.024 207 1559.94 3.904 149 1552.98 3.886 509 1551.27 3.882 311 1549.19 3.877 247 1546.14 3.869 269 1535.89 3.844 84 1525.88 3.819 82 1515.75 3.793 273 1512.57 3.785 259 1508.79 3.776 512 1501.83 3.758 153 1179.20 2.951 643 1174.32 2.939 634
in CDCl3
liquid film
