Diglycolic acid(110-99-6) MS
Product NameDiglycolic acid
CAS110-99-6
Molecular FormulaC4H6O5
Molecular Weight134.09
InChIInChI=1S/C4H6O5/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
InChIKey QEVGZEDELICMKH-UHFFFAOYSA-N
SmilesO(CC(O)=O)CC(O)=O
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MassMS-NW-0218 diglycolic acid C4H6O5 (Mass of molecular ion: 134)
Source Temperature: 220 °C Sample Temperature: 0 °C Direct, 75 eV
14.0 5.3 15.0 4.9 17.0 1.0 18.0 3.4 19.0 1.8 28.0 3.2 29.0 26.7 30.0 2.7 31.0 100.0 32.0 1.7 41.0 1.6 42.0 33.7 43.0 5.2 44.0 10.1 45.0 17.8 58.0 1.3 59.0 16.5 60.0 59.7 61.0 56.7 62.0 1.9 88.0 2.4 89.0 10.5 116.0 7.6
parameter in D2O
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1H NMR 300 MHz C4 H6 O5 0.034 g : 0.5 ml D2O diglycolic acid 
Parameter ppm Hz
D(A) 4.295
Hz ppm Int.1288.50 4.295 1000
in D2O
KBr disc
nujol mull
