3,4-dichloro-5-hydroxyfuran-2(5H)-one(766-40-5) MS
Product Name3,4-dichloro-5-hydroxyfuran-2(5H)-one
CAS766-40-5
Molecular FormulaC4H2Cl2O3
Molecular Weight168.96
InChIInChI=1S/C4H2Cl2O3/c5-1-2(6)4(8)9-3(1)7/h3,7H
InChIKey ZAKLKBFCSHJIRI-UHFFFAOYSA-N
SmilesO1C(O)C(Cl)=C(Cl)C1=O
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MassMS-NW-1862 (Z)-2,3-dichloro-3-formylacrylic acid C4H2Cl2O3 (Mass of molecular ion: 168)
Source Temperature: 260 °C Sample Temperature: 180 °C Direct, 75 eV
12.0 3.5 16.0 5.4 18.0 2.9 22.0 1.1 24.0 6.6 25.0 13.6 26.0 9.3 28.0 11.5 29.0 34.4 35.0 9.6 36.0 25.8 37.0 5.9 38.0 7.9 44.0 100.0 45.0 2.9 47.0 5.9 48.0 1.3 49.0 2.0 52.0 5.0 53.0 10.3 59.0 11.3 60.0 86.7 61.0 31.5 62.0 28.3 63.0 9.7 72.0 1.3 87.0 30.9 88.0 11.6 89.0 17.9 90.0 4.0 91.0 3.1 94.0 4.4 95.0 8.8 96.0 9.3 97.0 5.6 98.0 4.8 105.0 1.8 122.0 3.7 123.0 6.0 124.0 21.5 125.0 4.3 126.0 12.8 127.0 1.1 128.0 2.0 133.0 7.8 135.0 2.5 139.0 1.1 140.0 1.1 151.0 1.2 168.0 1.7 170.0 1.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C4 H2 Cl2 O3 0.038 g : 0.5 ml DMSO-d6 (Z)-2,3-dichloro-3-formylacrylic acid 
Assign. Shift(ppm)
A 8.64 B 6.241
Hz ppm Int.3454.10 8.643 586 2494.38 6.242 1000
KBr disc
nujol mull
4880 A,200 M,powder
