2',4',6'-Trihydroxyacetophenone monohydrate(480-66-0) 1H NMR
Product Name2',4',6'-Trihydroxyacetophenone monohydrate
CAS480-66-0
Molecular FormulaC8H8O4
Molecular Weight168.15
InChIInChI=1S/C8H8O4/c1-4(9)8-6(11)2-5(10)3-7(8)12/h2-3,10-12H,1H3
InChIKey XLEYFDVVXLMULC-UHFFFAOYSA-N
SmilesC(=O)(C1=C(O)C=C(O)C=C1O)C
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MassMS-NW-7359 2',4',6'-trihydroxyacetophenone C8H8O4 H2O (Mass of molecular ion: 168)
Source Temperature: 180 °C Sample Temperature: 140 °C Direct, 75 eV
18.0 1.4 27.0 1.6 29.0 1.6 38.0 1.5 39.0 4.2 41.0 5.3 42.0 2.2 43.0 12.2 50.0 2.2 51.0 3.2 53.0 3.1 54.0 1.0 55.0 4.0 65.0 1.3 66.0 1.4 67.0 3.5 69.0 11.1 70.0 1.7 76.0 1.3 79.0 1.6 83.0 1.6 84.0 1.9 85.0 1.2 96.0 1.4 97.0 2.1 98.0 2.0 111.0 2.8 121.0 1.4 124.0 1.6 139.0 2.0 153.0 100.0 154.0 8.4 155.0 1.2 168.0 43.0 169.0 4.1
KBr disc
nujol mull
