4-Chlorophenoxyacetic acid(122-88-3) Raman
Product Name4-Chlorophenoxyacetic acid
CAS122-88-3
Molecular FormulaC8H7ClO3
Molecular Weight186.59
InChIInChI=1S/C8H7ClO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey SODPIMGUZLOIPE-UHFFFAOYSA-N
SmilesC(O)(=O)COC1=CC=C(Cl)C=C1
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MassMS2014-05082CW (p-chlorophenoxy)acetic acid C8H7ClO3 (Mass of molecular ion: 186)
Source Temperature: 240 °C Sample Temperature: 25 °C Direct, 70 eV
17.0 1.1 18.0 5.3 28.0 2.1 29.0 1.5 31.0 2.5 37.0 1.3 38.0 3.1 39.0 3.2 42.0 1.5 43.0 3.0 45.0 1.9 50.0 9.0 51.0 5.1 58.0 1.2 61.0 1.8 62.0 3.2 63.0 9.3 64.0 3.7 65.0 3.4 70.5 1.6 73.0 7.9 74.0 5.7 75.0 24.7 76.0 5.5 77.0 12.6 78.0 1.6 79.0 1.0 85.0 2.7 92.0 2.1 93.0 1.0 99.0 23.5 100.0 2.9 101.0 7.6 111.0 53.8 112.0 4.8 113.0 30.9 114.0 2.4 115.0 4.8 127.0 18.8 128.0 50.9 129.0 9.3 130.0 16.1 131.0 1.1 141.0 82.4 142.0 6.3 143.0 26.2 144.0 2.2 186.0 100.0 187.0 8.7 188.0 32.2 189.0 2.8
in DMSO-d6
in DMSO-d6
KBr disc
nujol mull
4880 A,100M,powder
