Acetylenedicarboxylic acid(142-45-0) 13C NMR
Product NameAcetylenedicarboxylic acid
CAS142-45-0
Molecular FormulaC4H2O4
Molecular Weight114.06
InChIInChI=1S/C4H2O4/c5-3(6)1-2-4(7)8/h(H,5,6)(H,7,8)
InChIKey YTIVTFGABIZHHX-UHFFFAOYSA-N
SmilesC(O)(=O)C#CC(O)=O
-
MassMS-NW-5043 acetylenedicarboxylic acid C4H2O4 (Mass of molecular ion: 114)
Source Temperature: 170 °C Sample Temperature: 100 °C Direct, 75 eV
12.0 2.8 13.0 1.8 14.0 1.7 16.0 3.9 17.0 1.1 18.0 1.7 22.0 1.2 24.0 7.0 25.0 13.8 26.0 15.4 27.0 1.2 28.0 9.6 29.0 4.0 36.0 1.3 40.0 2.8 41.0 4.8 42.0 14.0 43.0 1.1 44.0 93.8 45.0 16.9 52.0 12.9 53.0 100.0 54.0 3.6 68.0 3.1 69.0 6.8 70.0 61.2 71.0 2.7 80.0 2.9 86.0 8.2 97.0 23.8 98.0 2.4 114.0 15.8
in D2O
KBr disc
liquid film
