4-Chloro-3-fluorobenzaldehyde(5527-95-7) MS
Product Name4-Chloro-3-fluorobenzaldehyde
CAS5527-95-7
Molecular FormulaC7H4ClFO
Molecular Weight158.56
InChIInChI=1S/C7H4ClFO/c8-6-2-1-5(4-10)3-7(6)9/h1-4H
InChIKey AZMDWRPTDCIFRD-UHFFFAOYSA-N
SmilesC(=O)C1=CC=C(Cl)C(F)=C1
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MassMS-IW-9554 4-chloro-3-fluorobenzaldehyde C7H4ClFO (Mass of molecular ion: 158)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
28.0 1.3 29.0 4.4 31.0 2.3 36.0 1.5 37.0 2.9 38.0 2.0 39.0 1.2 49.0 1.7 50.0 9.0 51.0 2.6 56.0 1.1 57.0 1.3 61.0 3.8 62.0 3.0 63.0 3.9 65.0 2.0 68.0 7.7 69.0 5.9 70.0 1.3 73.0 3.1 74.0 10.6 75.0 12.3 84.0 1.5 85.0 1.1 91.0 1.0 92.0 2.9 93.0 11.3 94.0 13.0 95.0 17.8 96.0 1.3 103.0 1.2 109.0 7.3 110.0 1.1 111.0 2.6 128.0 1.1 129.0 59.9 130.0 10.7 131.0 19.5 132.0 3.3 157.0 100.0 158.0 72.6 159.0 37.5 160.0 23.5 161.0 1.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H4 Cl F O saturated in CDCl3 4-chloro-3-fluorobenzaldehyde 
Assign. Shift(ppm)
A 9.968 B 7.67 C 7.641 D 7.61
Hz ppm Int.3984.68 9.971 1000 3982.85 9.966 964 3066.25 7.673 379 3064.58 7.669 534 3060.61 7.659 253 3059.54 7.656 342 3057.40 7.651 538 3055.57 7.646 646 3052.83 7.639 941 3050.99 7.635 666 3046.11 7.622 584 3040.01 7.607 622 3038.33 7.603 193 3035.58 7.596 81 3031.46 7.586 267
in CDCl3
KBr disk
nujol mull
