4-CHLOROBENZYLIDENEACETONE(3160-40-5) IR1
Product Name4-CHLOROBENZYLIDENEACETONE
CAS3160-40-5
Molecular FormulaC10H9ClO
Molecular Weight180.63
InChIInChI=1S/C10H9ClO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h2-7H,1H3
InChIKey UUKRKWJGNHNTRG-UHFFFAOYSA-N
SmilesCC(=O)C=CC1=CC=C(Cl)C=C1
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MassMS-IW-5401 4-(p-chlorophenyl)-3-buten-2-one C10H9ClO (Mass of molecular ion: 180)
Source Temperature: 120 °C Sample Temperature: 100 °C Direct, 75 eV
39.0 1.0 43.0 11.6 50.0 4.1 50.5 1.0 51.0 10.0 58.0 2.0 62.0 1.1 63.0 2.1 68.5 1.9 72.0 1.6 74.0 3.0 75.0 10.7 76.0 3.5 77.0 1.2 82.5 3.0 101.0 20.2 102.0 21.5 103.0 2.3 111.0 1.9 115.0 2.6 116.0 1.2 117.0 1.5 136.0 2.1 137.0 36.2 138.0 4.1 139.0 12.0 140.0 1.0 145.0 28.5 146.0 3.1 165.0 100.0 166.0 9.9 167.0 32.9 168.0 3.3 179.0 17.5 180.0 54.6 181.0 12.1 182.0 17.8 183.0 2.2
KBr disc
nujol mull
