2,4-DINITROPHENYLACETIC ACID(643-43-6) IR1
Product Name2,4-DINITROPHENYLACETIC ACID
CAS643-43-6
Molecular FormulaC8H6N2O6
Molecular Weight226.14
InChIInChI=1S/C8H6N2O6/c11-8(12)3-5-1-2-6(9(13)14)4-7(5)10(15)16/h1-2,4H,3H2,(H,11,12)
InChIKey KCNISYPADDTFDO-UHFFFAOYSA-N
SmilesC1(CC(O)=O)=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O
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MassMS-IW-1169 (2,4-dinitrophenyl)acetic acid C8H6N2O6 (Mass of molecular ion: 226)
Source Temperature: 130 °C Sample Temperature: 100 °C Direct, 75 eV
18.0 4.9 28.0 2.5 30.0 12.1 37.0 3.1 38.0 5.4 39.0 8.0 44.0 3.7 50.0 2.7 51.0 3.7 52.0 4.6 53.0 3.0 61.0 3.3 62.0 8.3 63.0 40.5 64.0 7.0 65.0 1.0 66.0 1.2 75.0 1.3 76.0 1.0 78.0 4.7 79.0 1.9 87.0 1.2 88.0 2.1 89.0 3.4 90.0 53.0 91.0 4.7 106.0 16.9 107.0 1.8 118.0 39.6 119.0 3.4 134.0 2.9 148.0 1.1 164.0 100.0 165.0 10.0 166.0 1.0
KBr disc
nujol mull
