1,2-BUTANEDIOL(584-03-2) IR1
Product Name1,2-BUTANEDIOL
CAS584-03-2
Molecular FormulaC4H10O2
Molecular Weight90.12
InChIInChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3
InChIKey BMRWNKZVCUKKSR-UHFFFAOYSA-N
SmilesC(O)C(O)CC
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MassMS-NW-4362 1,2-butanediol C4H10O2 (Mass of molecular ion: 90)
Source Temperature: 220 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 4.2 18.0 1.0 26.0 1.9 27.0 9.1 28.0 1.4 29.0 7.5 31.0 54.1 32.0 1.0 33.0 1.1 39.0 5.2 41.0 25.1 42.0 2.3 43.0 19.5 44.0 2.7 45.0 1.8 55.0 1.5 57.0 5.6 58.0 10.3 59.0 100.0 60.0 4.1 61.0 22.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C4 H10 O2 0.04 ml : 0.5 ml CDCl3 1,2-butanediol 
Assign. Shift(ppm)
A 3.97 to 3.22 B 1.45 C 0.965
Hz ppm Int.344.69 3.849 34 344.50 3.847 34 343.63 3.837 38 341.81 3.817 43 341.31 3.811 43 340.38 3.801 46 340.00 3.797 45 339.25 3.788 48 338.88 3.784 49 338.19 3.777 52 337.69 3.771 54 337.44 3.768 54 330.56 3.691 166 330.19 3.687 166 327.88 3.662 170 327.31 3.655 169 326.44 3.645 161 326.06 3.641 161 325.25 3.632 165 320.75 3.582 349 320.44 3.578 348 314.25 3.509 300 308.69 3.447 90 308.06 3.440 89 307.50 3.434 88 306.44 3.422 95 305.75 3.414 99 305.19 3.408 100 303.13 3.385 101 299.31 3.343 37 298.31 3.331 34 139.75 1.561 61 137.88 1.540 128 135.56 1.514 69 134.44 1.502 72 132.19 1.476 169 130.06 1.453 198 127.31 1.422 92 126.69 1.415 95 124.19 1.387 201 120.56 1.347 47 119.13 1.331 56 117.25 1.310 81 92.56 1.034 537 88.31 0.987 52 85.81 0.959 1000 79.06 0.883 167 77.94 0.871 267 76.44 0.854 147
in CDCl3
liquid film
4880 A,200 M,liquid
