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4-(Difluoromethyl)benzonitrile
SpectraBase Compound ID CtGtpBiPseI
InChI InChI=1S/C8H5F2N/c9-8(10)7-3-1-6(5-11)2-4-7/h1-4,8H
InChIKey UCOIWMARNIAWRV-UHFFFAOYSA-N
Mol Weight 153.13 g/mol
Molecular Formula C8H5F2N
Exact Mass 153.039005 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2u10pIhIWG
Name 4-(Difluoromethyl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H5F2N
InChI InChI=1S/C8H5F2N/c9-8(10)7-3-1-6(5-11)2-4-7/h1-4,8H
InChIKey UCOIWMARNIAWRV-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol5030037
Molecular Weight 153.132 g/mol
SMILES c1cc(C(F)F)ccc1C#N
SPLASH splash10-0udi-2900000000-1d0b6ff70c764a73d4c4
Source of Spectrum A1-16-5984/SMS11-13
Synonyms 4-[Bis(fluoranyl)methyl]benzenecarbonitrile
Wiley ID 1756175