3,4-Dimethoxy-3-cyclobutene-1,2-dione(5222-73-1) MS
Product Name3,4-Dimethoxy-3-cyclobutene-1,2-dione
CAS5222-73-1
Molecular FormulaC6H6O4
Molecular Weight142.11
InChIInChI=1S/C6H6O4/c1-9-5-3(7)4(8)6(5)10-2/h1-2H3
InChIKey SZBNZTGCAMLMJY-UHFFFAOYSA-N
SmilesC1(=O)C(OC)=C(OC)C1=O
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MassMS-IW-9146 3,4-dimethoxy-3-cyclobutene-1,2-dione C6H6O4 (Mass of molecular ion: 142)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
12.0 1.2 14.0 4.3 15.0 100.0 16.0 1.5 18.0 1.2 26.0 2.4 27.0 9.0 28.0 32.1 29.0 9.0 30.0 1.9 31.0 1.5 40.0 8.1 41.0 2.4 42.0 1.4 43.0 67.8 44.0 3.0 45.0 1.6 52.0 1.6 53.0 1.4 56.0 9.6 68.0 11.4 69.0 1.6 83.0 3.2 86.0 57.5 87.0 2.8 99.0 14.8 114.0 31.5 115.0 1.9 142.0 77.7 143.0 5.7
parameter in DMSO-d6
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1H NMR 300 MHz C6 H6 O4 0.039 g : 0.5 ml DMSO-d6 3,4-dimethoxy-3-cyclobutene-1,2-dione 
Parameter ppm Hz
D(A) 4.290
Hz ppm Int.1287.00 4.290 1000
in DMSO-d6
KBr disc
nujol mull
