Phenoxyacetyl chloride(701-99-5) MS
Product NamePhenoxyacetyl chloride
CAS701-99-5
Molecular FormulaC8H7ClO2
Molecular Weight170.59
InChIInChI=1S/C8H7ClO2/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey PKUPAJQAJXVUEK-UHFFFAOYSA-N
SmilesC(Cl)(COC1=CC=CC=C1)=O
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MassMS-NW-2942 phenoxyacetyl chloride C8H7ClO2 (Mass of molecular ion: 170)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.4 27.0 1.9 28.0 2.4 29.0 1.1 36.0 1.4 37.0 1.2 38.0 3.2 39.0 11.6 42.0 2.4 49.0 2.5 50.0 6.0 51.0 17.9 52.0 1.4 53.5 2.9 62.0 1.1 63.0 3.0 64.0 1.6 65.0 11.2 66.0 1.8 74.0 1.4 75.0 1.2 76.0 1.8 77.0 70.3 78.0 5.7 79.0 16.6 80.0 1.1 93.0 1.1 94.0 9.7 105.0 1.2 107.0 100.0 108.0 7.6 119.0 1.3 170.0 35.7 171.0 3.0 172.0 11.7 173.0 1.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H7 Cl O2 0.05 ml : 0.5 ml CDCl3 phenoxyacetyl chloride 
Assign. Shift(ppm)
A 7.276 B 7.02 C 6.88 D 4.882
Hz ppm Int.662.13 7.394 42 660.75 7.378 65 658.88 7.357 33 655.50 7.320 36 653.94 7.302 159 652.19 7.283 90 647.69 7.232 71 646.00 7.214 164 645.25 7.205 125 642.94 7.179 30 636.44 7.107 47 635.13 7.092 94 633.81 7.077 76 630.19 7.037 32 628.44 7.017 96 628.00 7.013 108 621.94 6.945 35 620.69 6.931 79 619.50 6.918 175 618.06 6.902 230 615.75 6.876 45 612.75 6.842 61 612.38 6.838 61 611.88 6.833 56 610.88 6.821 126 610.13 6.813 109 609.63 6.807 116 437.31 4.883 1000
in CDCl3
liquid film
