Product Name(R)-(-)-2-METHYL-2,4-PENTANEDIOL
CAS99210-90-9
Molecular FormulaC6H14O2
Molecular Weight118.17
InChIInChI=1/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/s3
InChIKey SVTBMSDMJJWYQN-GQMHJJTINA-N
SmilesC(O)(C)(C)C[C@H](O)C |&1:5,r|
Mass
MS-NW-5420 (R)-(-)-2-methyl-2,4-pentanediol C6H14O2 (Mass of molecular ion: 118)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 6.0 17.0 1.3 18.0 5.6 19.0 1.5 26.0 1.3 27.0 7.7 28.0 2.8 29.0 6.6 31.0 11.7 38.0 1.4 39.0 10.8 40.0 3.1 41.0 31.5 42.0 13.9 43.0 72.2 44.0 6.4 45.0 25.4 51.0 1.2 53.0 1.7 54.0 1.2 55.0 5.6 56.0 35.5 57.0 13.7 58.0 4.2 59.0 100.0 60.0 3.7 61.0 9.7 67.0 5.3 82.0 2.2 83.0 1.0 85.0 11.2 103.0 4.8
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C6 H14 O2 | 0.04 ml : 0.5 ml CDCl3 |
(R)-(-)-2-methyl-2,4-pentanediol |
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Assign. Shift(ppm) |
Hz ppm Int.
385.50 4.305 37 382.06 4.266 49 379.31 4.236 46 376.06 4.199 74 372.88 4.164 47 369.94 4.131 52 366.56 4.093 43 338.38 3.779 871 147.69 1.650 102 138.50 1.547 291 135.13 1.509 204 124.00 1.385 61 116.75 1.304 854 112.00 1.251 1000 109.25 1.220 860 107.25 1.198 72 105.38 1.177 30 103.06 1.151 824
in CDCl3
liquid film
4880 A,200 M,liquid
(R)-(-)-2-METHYL-2,4-PENTANEDIOL(99210-90-9) 13C NMR Atlas of Related Products