(-)-2,3-O-Isopropylidene-D-threitol(73346-74-4) MS
Product Name(-)-2,3-O-Isopropylidene-D-threitol
CAS73346-74-4
Molecular FormulaC7H14O4
Molecular Weight162.18
InChIInChI=1S/C7H14O4/c1-7(2)10-5(3-8)6(4-9)11-7/h5-6,8-9H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKey INVRLGIKFANLFP-PHDIDXHHSA-N
SmilesO1[C@H](CO)[C@@H](CO)OC1(C)C
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MassMS-NW-7959 (-)-2,3-O-isopropylidene-D-threitol C7H14O4 (Mass of molecular ion: 162)
Source Temperature: 130 °C Sample Temperature: 100 °C Direct, 75 eV
15.0 4.8 18.0 1.2 19.0 4.0 27.0 5.7 28.0 1.4 29.0 4.6 31.0 20.4 39.0 4.3 41.0 18.8 42.0 3.9 43.0 63.2 44.0 3.3 45.0 9.0 55.0 1.7 57.0 4.1 58.0 2.3 59.0 100.0 60.0 3.7 61.0 11.5 69.0 21.0 70.0 1.0 73.0 4.2 85.0 2.2 87.0 10.5 105.0 2.1 113.0 2.0 131.0 26.6 132.0 1.9 147.0 44.7 148.0 3.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H14 O4 0.039 g : 0.5 ml CDCl3 (-)-2,3-O-isopropylidene-D-threitol 
Assign. Shift(ppm)
A 3.975 B *1 3.76 C *1 3.73 D 3.10 E 1.429
Hz ppm Int.1593.02 3.987 34 1591.43 3.983 66 1590.33 3.980 68 1588.75 3.976 118 1587.28 3.972 69 1586.18 3.969 69 1584.59 3.965 33 1514.28 3.790 21 1513.55 3.788 21 1511.72 3.783 21 1502.32 3.760 64 1501.34 3.757 63 1492.55 3.735 58 1482.06 3.709 20 1239.99 3.103 38 571.04 1.429 1000
in CDCl3
KBr disc
nujol mull
