3-(Trifluoromethyl)benzaldehyde(454-89-7) Raman
Product Name3-(Trifluoromethyl)benzaldehyde
CAS454-89-7
Molecular FormulaC8H5F3O
Molecular Weight174.12
InChIInChI=1S/C8H5F3O/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-5H
InChIKey NMTUHPSKJJYGML-UHFFFAOYSA-N
SmilesC(=O)C1=CC=CC(C(F)(F)F)=C1
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MassMS-IW-9017 m-(trifluoromethyl)benzaldehyde C8H5F3O (Mass of molecular ion: 174)
Source Temperature: 200 °C Sample Temperature: 150 °C Reservoir, 75 eV
28.0 1.3 29.0 3.0 31.0 1.2 37.0 1.1 38.0 1.7 39.0 1.9 50.0 9.0 51.0 7.7 57.0 2.5 62.0 1.4 63.0 2.0 69.0 4.1 74.0 4.6 75.0 12.5 76.0 3.1 77.0 5.4 81.0 1.0 94.0 1.1 95.0 12.2 96.0 6.9 99.0 2.3 107.0 1.1 119.0 1.6 121.0 1.5 125.0 7.1 126.0 4.0 127.0 5.9 144.0 1.6 145.0 91.9 146.0 9.3 152.0 1.3 155.0 9.3 170.0 1.0 171.0 4.5 173.0 100.0 174.0 78.8 175.0 7.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H5 F3 O 0.05 ml : 0.5 ml CDCl3 m-(trifluoromethyl)benzaldehyde 
Assign. Shift(ppm)
A 10.091 B 8.148 C 8.095 D 7.891 E 7.710
Hz ppm Int.4033.05 10.092 1000 3256.53 8.149 367 3239.29 8.106 221 3231.51 8.086 245 3158.87 7.905 173 3158.11 7.903 191 3157.50 7.901 173 3150.33 7.883 233 3149.72 7.882 210 3088.68 7.729 177 3080.90 7.709 289 3073.27 7.690 136
in CDCl3
liquid film
