1,3,5-PENTANETRICARBOXYLIC ACID(6940-58-5) MS
Product Name1,3,5-PENTANETRICARBOXYLIC ACID
CAS6940-58-5
Molecular FormulaC8H12O6
Molecular Weight204.18
InChIInChI=1S/C8H12O6/c9-6(10)3-1-5(8(13)14)2-4-7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)(H,13,14)
InChIKey ROTJZTYLACIJIG-UHFFFAOYSA-N
SmilesC(C(O)=O)CC(C(O)=O)CCC(O)=O
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MassMS-NW-1940 1,3,5-pentanetricarboxylic acid C8H12O6 (Mass of molecular ion: 204)
Source Temperature: 220 °C Sample Temperature: 170 °C Direct, 75 eV
14.0 1.4 15.0 2.3 17.0 4.2 18.0 17.3 26.0 5.6 27.0 37.1 28.0 11.6 29.0 20.4 30.0 1.0 31.0 4.3 37.0 1.5 38.0 4.1 39.0 44.6 40.0 9.1 41.0 53.1 42.0 58.8 43.0 42.6 44.0 11.4 45.0 29.7 46.0 1.0 50.0 2.4 51.0 4.1 52.0 2.4 53.0 15.1 54.0 24.8 55.0 81.2 56.0 11.5 57.0 13.9 58.0 26.3 59.0 3.2 60.0 37.5 61.0 1.5 63.0 1.1 65.0 2.8 66.0 2.4 67.0 17.6 68.0 18.7 69.0 6.6 70.0 15.2 71.0 22.2 72.0 3.0 73.0 16.1 74.0 1.3 79.0 1.0 81.0 9.5 82.0 7.6 83.0 28.0 84.0 5.4 85.0 10.5 86.0 88.8 87.0 4.6 94.0 2.8 95.0 6.4 96.0 7.3 97.0 5.3 98.0 6.6 99.0 22.5 100.0 15.1 101.0 7.0 109.0 1.8 111.0 1.0 112.0 36.9 113.0 9.7 114.0 100.0 115.0 6.3 116.0 3.6 122.0 9.1 123.0 5.2 124.0 3.0 125.0 1.1 127.0 17.3 128.0 1.2 130.0 13.1 131.0 1.0 132.0 1.5 140.0 20.5 141.0 4.7 142.0 2.3 158.0 12.2 159.0 1.1 168.0 15.4 169.0 6.5 186.0 1.8
KBr disc
nujol mull
