Squaric acid(2892-51-5) MS
Product NameSquaric acid
CAS2892-51-5
Molecular FormulaC4H2O4
Molecular Weight114.06
InChIInChI=1S/C4H2O4/c5-1-2(6)4(8)3(1)7/h5-6H
InChIKey PWEBUXCTKOWPCW-UHFFFAOYSA-N
SmilesC1(=O)C(O)=C(O)C1=O
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MassMS-NW-5804 3,4-dihydroxy-3-cyclobutene-1,2-dione C4H2O4 (Mass of molecular ion: 114)
Source Temperature: 220 °C Sample Temperature: 170 °C Direct, 75 eV
12.0 5.0 13.0 2.3 17.0 1.5 18.0 5.5 24.0 2.9 28.0 35.3 29.0 86.4 30.0 2.1 40.0 8.9 41.0 10.2 44.0 2.7 52.0 1.6 56.0 6.5 58.0 100.0 59.0 2.5 68.0 9.7 69.0 7.6 86.0 51.5 87.0 2.0 114.0 93.7 115.0 4.9 116.0 1.0
KBr disc
nujol mull
