2,4-DIMETHYL-2,4-PENTANEDIOL(24892-49-7) IR1
Product Name2,4-DIMETHYL-2,4-PENTANEDIOL
CAS24892-49-7
Molecular FormulaC7H16O2
Molecular Weight132.2
InChIInChI=1S/C7H16O2/c1-6(2,8)5-7(3,4)9/h8-9H,5H2,1-4H3
InChIKey DBTGFWMBFZBBEF-UHFFFAOYSA-N
SmilesCC(C)(O)CC(C)(O)C
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MassMS-NW-9480 2,4-dimethyl-2,4-pentanediol C7H16O2 (Mass of molecular ion: 132)
Source Temperature: 250 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.5 27.0 2.5 28.0 1.6 29.0 3.3 31.0 9.2 39.0 3.2 40.0 1.1 41.0 15.0 42.0 1.1 43.0 66.4 44.0 1.7 51.0 3.3 55.0 3.5 56.0 43.7 57.0 5.1 58.0 3.1 59.0 100.0 60.0 3.6 61.0 2.9 83.0 1.0 99.0 14.6 100.0 1.0 117.0 2.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H16 O2 0.05 ml : 0.5 ml CDCl3 2,4-dimethyl-2,4-pentanediol 
Assign. Shift(ppm)
A 4.3 B 1.719 C 1.323
Hz ppm Int.687.26 1.720 323 528.93 1.324 1000
in CDCl3
liquid film
