(2R,4R)-(-)-PENTANEDIOL(42075-32-1) 1H NMR
Product Name(2R,4R)-(-)-PENTANEDIOL
CAS42075-32-1
Molecular FormulaC5H12O2
Molecular Weight104.15
InChIInChI=1S/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3/t4-,5-/m1/s1
InChIKey GTCCGKPBSJZVRZ-RFZPGFLSSA-N
SmilesC[C@@H](O)C[C@H](O)C
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MassMS-NW-6521 (2R,4R)-(-)-2,4-pentanediol C5H12O2 (Mass of molecular ion: 104)
Source Temperature: 240 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 3.4 18.0 4.7 19.0 4.1 27.0 6.9 28.0 1.2 29.0 4.4 31.0 3.2 39.0 5.0 40.0 2.6 41.0 13.1 42.0 46.2 43.0 22.1 44.0 4.1 45.0 100.0 46.0 2.5 47.0 1.1 53.0 1.1 58.0 1.8 59.0 1.5 63.0 4.0 67.0 1.3 71.0 16.1 86.0 1.8 89.0 3.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H12 O2 0.040 g : 0.5 ml CDCl3 (2r,4r)-(-)-2,4-pentanediol 
Assign. Shift(ppm)
A 4.131 B 3.52 C 1.577 D 1.224 J(A,D)=6.3HZ.
Hz ppm Int.378.94 4.232 49 373.69 4.173 67 372.69 4.162 80 367.44 4.103 86 366.56 4.093 67 361.25 4.034 55 314.88 3.516 680 146.88 1.641 174 141.63 1.582 157 140.75 1.572 166 135.50 1.513 156 112.69 1.259 1000 108.50 1.212 29 106.44 1.189 952
in CDCl3
KBr disc
4880 A,200 M,liquid
