(R)-(+)-2,2-DIMETHYL-1,3-DIOXOLANE-4-CARBOXYLIC ACID METHYL ESTER(52373-72-5)IR
Molecular FormulaC7H12O4
Molecular Weight160.17
InChIInChI=1S/C7H12O4/c1-7(2)10-4-5(11-7)6(8)9-3/h5H,4H2,1-3H3/t5-/m1/s1
InChIKey DOWWCCDWPKGNGX-RXMQYKEDSA-N
SmilesO1C[C@H](C(OC)=O)OC1(C)C
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MassMS-KW-0167 methyl (R)-2,2-dimethyl-1,3-dioxolane-4-carboxylate C7H12O4 (Mass of molecular ion: 160)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 10.4 27.0 3.1 28.0 4.1 29.0 5.0 30.0 1.0 31.0 4.9 32.0 1.2 33.0 2.1 39.0 3.0 40.0 1.0 41.0 7.2 42.0 6.8 43.0 100.0 44.0 4.0 45.0 1.9 55.0 3.0 58.0 5.0 59.0 10.5 60.0 1.0 61.0 6.5 71.0 3.4 72.0 2.5 73.0 11.8 75.0 1.0 83.0 1.4 90.0 2.3 101.0 27.4 102.0 1.9 103.0 1.5 117.0 2.7 145.0 45.1 146.0 3.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H12 O4 0.05 ml : 0.5 ml CDCl3 methyl (R)-2,2-dimethyl-1,3-dioxolane-4-carboxylate 
Assign. Shift(ppm)
A 4.609 B *1 4.248 C *1 4.113 E 3.783 F *2 1.498 G *2 1.407
Hz ppm Int.1848.63 4.626 94 1843.51 4.613 105 1841.43 4.608 105 1836.30 4.595 104 1706.30 4.270 136 1698.97 4.252 136 1697.63 4.248 187 1690.31 4.230 160 1650.27 4.130 181 1645.14 4.117 174 1641.60 4.108 135 1636.47 4.095 131 1516.60 3.795 35 1512.08 3.784 1000 602.78 1.509 49 599.00 1.499 550 598.39 1.498 546 562.87 1.409 589 562.26 1.407 575
in CDCl3
