Isosorbide dimethyl ether(5306-85-4) Raman
Product NameIsosorbide dimethyl ether
CAS5306-85-4
Molecular FormulaC8H14O4
Molecular Weight174.2
InChIInChI=1/C8H14O4/c1-9-5-3-11-8-6(10-2)4-12-7(5)8/h5-8H,3-4H2,1-2H3/t5-,6+,7-,8-/s3
InChIKey MEJYDZQQVZJMPP-YUIZXGBDNA-N
SmilesO([C@@H]1CO[C@]2([H])[C@@H](OC)CO[C@]12[H])C |&1:1,4,6,11,r|
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MassMS-NW-9915 isosorbide dimethyl ether C8H14O4 (Mass of molecular ion: 174)
Source Temperature: 250 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 4.8 27.0 4.4 28.0 6.2 29.0 8.0 31.0 5.0 33.0 4.1 39.0 4.9 40.0 2.4 41.0 12.2 42.0 4.5 43.0 13.1 44.0 1.2 45.0 12.7 53.0 1.4 55.0 3.4 56.0 1.3 57.0 4.8 58.0 100.0 59.0 36.7 60.0 1.5 61.0 1.5 68.0 2.5 69.0 83.0 70.0 5.1 71.0 15.7 72.0 8.3 73.0 3.6 74.0 8.6 75.0 9.4 81.0 1.2 82.0 1.1 83.0 1.7 84.0 3.4 85.0 9.0 87.0 1.9 88.0 3.3 99.0 15.9 100.0 17.0 101.0 23.5 102.0 1.7 111.0 1.2 112.0 1.9 113.0 1.6 115.0 1.2 116.0 3.9 142.0 2.4 143.0 2.1 174.0 19.5 175.0 2.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H14 O4 0.05 ml : 0.5 ml CDCl3 isosorbide dimethyl ether 
Assign. Shift(ppm)
A 4.653 B 4.518 C 3.977 D 3.95 E 3.94 F 3.92 G 3.865 J 3.579 K *1 3.466 L *1 3.379 ASSIGNED BY H-H AND C-H COSY
Hz ppm Int.1864.26 4.665 55 1859.99 4.655 111 1855.83 4.644 67 1807.74 4.524 107 1803.47 4.513 93 1597.78 3.998 40 1595.95 3.994 43 1587.65 3.973 103 1585.82 3.969 109 1583.74 3.963 69 1578.86 3.951 157 1577.03 3.947 203 1575.07 3.942 191 1573.24 3.937 218 1572.02 3.934 153 1568.97 3.926 105 1566.41 3.920 47 1564.94 3.916 88 1562.62 3.910 37 1547.61 3.873 64 1546.39 3.870 88 1545.17 3.867 66 1544.43 3.865 81 1543.82 3.863 61 1543.21 3.862 60 1542.60 3.860 72 1541.87 3.859 54 1541.26 3.857 51 1441.53 3.607 55 1431.03 3.581 166 1420.17 3.554 72 1385.38 3.467 1000 1353.52 3.387 62 1353.03 3.386 63 1350.59 3.380 968
in CDCl3
liquid film
4880 A,200 M,liquid
