Phenylacetyl chloride(103-80-0) 1H NMR
Product NamePhenylacetyl chloride
CAS103-80-0
Molecular FormulaC8H7ClO
Molecular Weight154.59
InChIInChI=1S/C8H7ClO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey VMZCDNSFRSVYKQ-UHFFFAOYSA-N
SmilesC1(CC(Cl)=O)=CC=CC=C1
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MassMS-NW-0930 phenylacetyl chloride C8H7ClO (Mass of molecular ion: 154)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 1.2 28.0 1.7 36.0 5.2 37.0 1.7 38.0 3.8 39.0 10.4 40.0 1.2 41.0 1.5 43.0 1.5 45.0 2.1 45.5 5.2 50.0 4.8 51.0 6.3 52.0 1.2 59.0 1.5 59.5 1.1 61.0 2.1 62.0 4.8 63.0 11.1 64.0 4.3 65.0 12.7 74.0 1.2 77.0 1.8 89.0 21.8 90.0 26.2 91.0 100.0 92.0 8.2 105.0 2.5 112.0 1.3 118.0 26.4 119.0 10.2 154.0 12.9 155.0 1.1 156.0 4.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H7 Cl O 10.2 mol% in CDCl3 phenylacetyl chloride 
Assign. Shift(ppm)
A 4.08 B 7.13 to 7.43
Hz ppm Int.663.69 7.411 38 663.06 7.404 39 662.69 7.400 38 662.31 7.396 38 661.69 7.389 33 660.63 7.377 127 659.31 7.362 82 658.75 7.356 87 655.75 7.322 341 654.50 7.308 304 653.38 7.296 689 652.88 7.290 635 651.13 7.271 390 650.38 7.262 450 649.88 7.257 352 649.44 7.252 240 649.06 7.248 202 648.06 7.237 85 647.44 7.230 137 647.00 7.225 165 645.88 7.212 95 644.38 7.195 56 642.50 7.174 89 642.13 7.170 113 640.81 7.156 35 640.44 7.151 48 640.00 7.147 34 365.13 4.077 1000
in CDCl3
liquid film
4880 A,200 M,liquid
