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3,4-Difluorophenylacetonitrile
SpectraBase Compound ID A4YwjegubrH
InChI InChI=1S/C8H5F2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3H2
InChIKey GNPYERUNJMDEFQ-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 ALcObJWqoAr
Name Benzeneacetonitrile, 3,4-difluoro-
Alternate Name(s) 3,4-Difluorophenylacetonitrile 2-[3,4-Bis(fluoranyl)phenyl]ethanenitrile
CAS Registry Number 658-99-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H5F2N
InChI InChI=1S/C8H5F2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3H2
InChIKey GNPYERUNJMDEFQ-UHFFFAOYSA-N
Molecular Weight 153.132 g/mol
SMILES c1(cc(ccc1F)CC#N)F
SPLASH splash10-0ufr-2900000000-0a8c30eda5815bccfc54
Source of Spectrum NP-1-6175-0
Wiley ID 1099212