Fumaric acid(110-17-8) MS
Product NameFumaric acid
CAS110-17-8
Molecular FormulaC4H4O4
Molecular Weight116.07
InChIInChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+
InChIKey VZCYOOQTPOCHFL-OWOJBTEDSA-N
SmilesC(O)(=O)/C=C/C(O)=O
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MassMS-NW-1677 fumaric acid C4H4O4 (Mass of molecular ion: 116)
Source Temperature: 190 °C Sample Temperature: 170 °C Direct, 75 eV
13.0 1.7 14.0 2.4 15.0 5.4 17.0 1.4 18.0 4.5 24.0 1.7 25.0 8.8 26.0 44.3 27.0 69.1 28.0 5.9 29.0 8.1 37.0 1.3 41.0 5.4 42.0 7.6 43.0 9.3 44.0 5.0 45.0 70.9 46.0 6.4 52.0 2.4 53.0 34.5 54.0 19.0 55.0 15.3 60.0 1.3 69.0 3.9 70.0 10.6 71.0 19.8 72.0 18.5 81.0 16.6 82.0 4.4 88.0 27.1 98.0 100.0 99.0 38.7 100.0 2.3 116.0 32.0 117.0 2.2
parameter in DMSO-d6
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1H NMR 300 MHz C4 H4 O4 0.046 g : 0.5 ml DMSO-d6 fumaric acid 
Parameter ppm Hz
D(A) 12.98 D(B) 6.647
Hz ppm Int.3894.02 12.980 30 1994.07 6.647 1000
KBr disc
nujol mull
4880 A,200 M,powder
