3-Methylbenzoyl chloride(1711-06-4) Raman
Product Name3-Methylbenzoyl chloride
CAS1711-06-4
Molecular FormulaC8H7ClO
Molecular Weight154.59
InChIInChI=1S/C8H7ClO/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3
InChIKey YHOYYHYBFSYOSQ-UHFFFAOYSA-N
SmilesC(Cl)(=O)C1=CC=CC(C)=C1
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MassMS-NW-2821 m-toluoyl chloride C8H7ClO (Mass of molecular ion: 154)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
37.0 1.0 38.0 1.7 39.0 8.0 41.0 2.2 45.0 1.3 45.5 2.2 50.0 3.8 51.0 4.0 52.0 1.1 59.0 1.9 59.5 1.4 61.0 1.2 62.0 2.9 63.0 7.5 64.0 2.3 65.0 18.1 66.0 1.0 74.0 1.1 89.0 6.9 90.0 4.2 91.0 61.5 92.0 4.8 119.0 100.0 120.0 8.9 154.0 7.4 156.0 2.3
parameter in CDCl3
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1H NMR 300 MHz C8 H7 Cl O 5.0 mol% in CCl4 m-toluoyl chloride 
Parameter ppm Hz
D(A) 7.417 D(B) 7.342 D(C) 7.876 D(D) 7.862 J(A,B) 7.65 J(A,C) 1.22 J(A,D) 1.79 J(B,C) 7.88 J(B,D) 0.51 J(C,D) 1.93 D(E) 2.420 YAMAMOTO,O. ET AL. ANAL.CHEM. 44, 1794 (1972) SMALL LONG RANGE COUPLINGS EXIST BETWEEN CH3(E) AND AROMATIC PROTONS
Hz ppm Int.2368.51 7.895 35 2366.64 7.889 65 2365.22 7.884 56 2360.55 7.868 78 2359.49 7.865 201 2357.96 7.860 183 2231.11 7.437 31 2229.64 7.432 50 2228.02 7.427 34 2223.51 7.412 66 2221.93 7.406 113 2220.36 7.401 60 2209.81 7.366 67 2208.70 7.362 51 2202.66 7.342 58 2201.65 7.339 75 2194.95 7.316 27 2193.99 7.313 32 725.99 2.420 1000
in CDCl3
liquid film
