2,3-Butanediol(513-85-9) IR1
Product Name2,3-Butanediol
CAS513-85-9
Molecular FormulaC4H10O2
Molecular Weight90.12
InChIInChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3
InChIKey OWBTYPJTUOEWEK-UHFFFAOYSA-N
SmilesCC(O)C(O)C
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MassMS-NW-4381 2,3-butanediol C4H10O2 (Mass of molecular ion: 90)
Source Temperature: 220 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 3.1 19.0 6.0 26.0 1.1 27.0 8.0 28.0 4.5 29.0 6.9 31.0 2.2 41.0 1.3 42.0 1.2 43.0 9.6 44.0 4.3 45.0 100.0 46.0 3.4 47.0 4.9 55.0 1.9 57.0 9.1 75.0 2.9 90.0 1.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C4 H10 O2 0.05 ml : 0.5 ml CDCl3 2,3-butanediol 
Assign. Shift(ppm)
A 3.99 B 3.764 C 1.114
Hz ppm Int.1594.24 3.990 120 1513.06 3.786 101 1507.69 3.773 228 1506.59 3.770 204 1502.32 3.760 204 1501.34 3.757 223 1495.97 3.744 94 448.49 1.123 1000 442.02 1.107 929
in CDCl3
liquid film
4880 A,200 M,liquid
