DL-1,4-DICHLORO-2,3-BUTANEDIOL(2419-73-0) IR1
Product NameDL-1,4-DICHLORO-2,3-BUTANEDIOL
CAS2419-73-0
Molecular FormulaC4H8Cl2O2
Molecular Weight159.01
InChIInChI=1S/C4H8Cl2O2/c5-1-3(7)4(8)2-6/h3-4,7-8H,1-2H2
InChIKey SAUBRJOIKMVSRU-UHFFFAOYSA-N
SmilesC(Cl)C(O)C(O)CCl
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MassMS-IW-8230 1,4-dichloro-2,3-butanediol C4H8Cl2O2 (Mass of molecular ion: 158)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
14.0 1.4 15.0 10.5 18.0 3.0 19.0 4.8 26.0 2.0 27.0 19.1 28.0 4.1 29.0 11.1 31.0 5.3 35.0 1.6 36.0 12.8 38.0 4.4 39.0 3.8 41.0 3.7 42.0 7.5 43.0 67.5 44.0 100.0 45.0 14.1 47.0 1.4 49.0 9.0 50.0 4.3 51.0 3.2 52.0 1.1 53.0 1.1 55.0 5.1 57.0 3.4 60.0 1.4 61.0 1.7 62.0 1.8 63.0 10.6 65.0 3.6 73.0 7.3 75.0 1.1 77.0 4.1 78.0 6.2 79.0 46.5 80.0 3.4 81.0 14.7 86.0 4.2 91.0 25.1 92.0 1.2 93.0 8.4 105.0 1.0 109.0 53.2 110.0 1.9 111.0 17.2
parameter in DMSO-d6
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1H NMR 300 MHz C4 H8 Cl2 O2 0.037 g : 0.5 ml DMSO-d6 1,4-dichloro-2,3-butanediol 
Parameter ppm Hz
D(A) 5.3 D(B) 3.720 D(C) *1 3.671 D(D) *1 3.505 J(B,C) 5.5 J(B,D) 6.1 J(C,D) -10.7
Hz ppm Int.1590.00 5.300 45 1122.30 3.741 385 1116.84 3.723 886 1111.26 3.704 1000 1109.04 3.697 847 1103.61 3.679 153 1098.86 3.663 846 1093.47 3.645 540 1066.32 3.554 50 1058.68 3.529 714 1053.04 3.510 626 1048.54 3.495 498 1042.90 3.476 399 1035.25 3.451 19
in DMSO-d6
KBr disc
nujol mull
