1,2,3,4,5,6-Cyclohexanehexacarboxylic acid(2216-84-4) MS
Product Name1,2,3,4,5,6-Cyclohexanehexacarboxylic acid
CAS2216-84-4
Molecular FormulaC12H12O12
Molecular Weight348.22
InChIInChI=1S/C12H12O12/c13-7(14)1-2(8(15)16)4(10(19)20)6(12(23)24)5(11(21)22)3(1)9(17)18/h1-6H,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChIKey DTGRIEIJTWNZQF-UHFFFAOYSA-N
SmilesC1(C(O)=O)C(C(O)=O)C(C(O)=O)C(C(O)=O)C(C(O)=O)C1C(O)=O
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MassMS-IW-8165 1,2,3,4,5,6-cyclohexanehexacarboxylic acid C12H12O12 H2O (Mass of molecular ion: 348)
Source Temperature: 190 °C Sample Temperature: 210 °C Direct, 75 eV
16.0 1.5 17.0 7.0 18.0 37.1 26.0 3.6 27.0 2.6 28.0 44.3 29.0 1.3 37.0 1.6 38.0 5.3 38.5 1.3 39.0 18.5 41.0 1.0 44.0 56.8 45.0 3.4 50.0 8.9 51.0 13.1 52.0 9.6 52.5 1.0 53.0 4.5 55.0 1.1 57.0 1.1 63.0 3.7 65.0 1.5 66.0 1.6 74.0 2.4 75.0 1.4 76.0 2.9 77.0 14.9 78.0 100.0 79.0 22.5 80.0 1.9 94.0 1.1 95.0 1.0 104.0 1.6 105.0 14.5 106.0 3.4 122.0 7.8 123.0 15.9 124.0 4.4 132.0 1.0 134.0 1.2 149.0 4.5 150.0 43.7 151.0 4.4 166.0 1.7 167.0 2.7 168.0 2.0 174.0 1.0 178.0 2.0 194.0 1.9 204.0 4.3 222.0 5.7 250.0 1.1
KBr disc
nujol mull
