2-CHLORO-4,5-DIMETHYLPHENOL(1124-04-5) IR2
Product Name2-CHLORO-4,5-DIMETHYLPHENOL
CAS1124-04-5
Molecular FormulaC8H9ClO
Molecular Weight156.61
InChIInChI=1S/C8H9ClO/c1-5-3-7(9)8(10)4-6(5)2/h3-4,10H,1-2H3
InChIKey PSOJLBXHRBFLLQ-UHFFFAOYSA-N
SmilesC1(O)=CC(C)=C(C)C=C1Cl
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MassMS-NW-8956 6-chloro-3,4-xylenol C8H9ClO (Mass of molecular ion: 156)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 1.6 38.0 1.0 39.0 6.4 41.0 2.3 45.0 1.2 50.0 2.9 51.0 9.1 52.0 2.0 53.0 3.8 55.0 1.2 59.0 1.4 62.0 1.4 63.0 4.3 64.0 1.4 65.0 11.3 66.0 1.4 67.0 1.0 73.0 1.0 74.0 1.1 75.0 2.3 77.0 16.9 78.0 3.5 79.0 1.2 87.0 1.2 89.0 3.1 90.0 1.0 91.0 23.6 92.0 3.6 93.0 3.2 103.0 2.5 105.0 1.5 119.0 2.2 120.0 1.6 121.0 100.0 122.0 9.0 127.0 1.3 141.0 42.1 142.0 3.3 143.0 13.7 144.0 1.1 154.0 1.2 155.0 24.6 156.0 87.6 157.0 15.4 158.0 28.6 159.0 2.6
in CDCl3
KBr disc
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