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3-Methyl-4-(pentafluoroethyl)benzonitrile
SpectraBase Compound ID JvXnTglp7uc
InChI InChI=1S/C10H6F5N/c1-6-4-7(5-16)2-3-8(6)9(11,12)10(13,14)15/h2-4H,1H3
InChIKey BWVIXLMLQLDMSN-UHFFFAOYSA-N
Mol Weight 235.16 g/mol
Molecular Formula C10H6F5N
Exact Mass 235.04204 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Ml3ySXrEHW
Name 3-Methyl-4-(pentafluoroethyl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H6F5N
InChI InChI=1S/C10H6F5N/c1-6-4-7(5-16)2-3-8(6)9(11,12)10(13,14)15/h2-4H,1H3
InChIKey BWVIXLMLQLDMSN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201201040
Molecular Weight 235.157 g/mol
SMILES C(F)(c1c(cc(cc1)C#N)C)(F)C(F)(F)F
SPLASH splash10-014i-0920000000-56eeb4b03dada7bb2fba
Source of Spectrum ASC-355-996/SM9-3a
Synonyms 3-Methyl-4-(perfluoroethyl)benzonitrile
Wiley ID 1761976