Pentafluorobenzene(363-72-4) MS
Product NamePentafluorobenzene
CAS363-72-4
Molecular FormulaC6HF5
Molecular Weight168.06
InChIInChI=1S/C6HF5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
InChIKey WACNXHCZHTVBJM-UHFFFAOYSA-N
SmilesC1(F)=CC(F)=C(F)C(F)=C1F
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MassMS-NW-5591 pentafluorobenzene C6HF5 (Mass of molecular ion: 168)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
31.0 9.5 37.0 1.0 55.0 1.3 56.0 1.3 61.0 1.4 68.0 2.4 69.0 2.9 74.0 1.9 75.0 5.7 79.0 2.8 80.0 3.1 84.0 2.8 86.0 1.2 93.0 6.7 98.0 2.5 99.0 37.8 100.0 2.3 117.0 6.4 118.0 6.9 124.0 2.1 137.0 13.4 148.0 2.6 149.0 6.8 150.0 1.1 167.0 1.0 168.0 100.0 169.0 6.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H F5 0.04 ml : 0.5 ml CDCl3 pentafluorobenzene 
Assign. Shift(ppm)
A 6.908
Hz ppm Int.
643.00 7.180 33 642.31 7.172 33 641.69 7.165 32 639.44 7.140 224 636.75 7.110 238 632.56 7.063 473 629.88 7.034 598 629.31 7.027 590 626.69 6.998 530 625.69 6.987 347 622.44 6.950 994 619.75 6.920 1000 617.44 6.895 172 616.50 6.884 358 615.56 6.874 534 612.88 6.844 610 612.31 6.837 597 609.69 6.808 478 607.81 6.787 81 605.44 6.761 245 602.81 6.731 229 599.25 6.692 34
liquid film
4880 A,200 M,liquid
