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

Mass
MS-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

4-CHLOROBENZYLIDENEACETONE(3160-40-5) MS Atlas of Related Products
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