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7-Chloro-2-fluoro-2-phenylheptanenitrile

View entire compound with spectra: 1 MS (GC)

7-Chloro-2-fluoro-2-phenylheptanenitrile
SpectraBase Compound ID JYTsBGYk37J
InChI InChI=1S/C13H15ClFN/c14-10-6-2-5-9-13(15,11-16)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-10H2
InChIKey AFOFSYKZYVTMQH-UHFFFAOYSA-N
Mol Weight 239.72 g/mol
Molecular Formula C13H15ClFN
Exact Mass 239.087705 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID OkgCWHpF45
Name 7-Chloro-2-fluoro-2-phenylheptanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15ClFN
InChI InChI=1S/C13H15ClFN/c14-10-6-2-5-9-13(15,11-16)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-10H2
InChIKey AFOFSYKZYVTMQH-UHFFFAOYSA-N
Molecular Weight 239.721 g/mol
SMILES C(C(CCCCCCl)(c1ccccc1)F)#N
SPLASH splash10-000i-3980000000-be3addab5a4f4994c0d7
Source of Spectrum SO-0-680-0
Synonyms 7-Chloranyl-2-fluoranyl-2-phenyl-heptanenitrile 7-Chloro-2-fluoro-2-phenyl-enanthonitrile
Wiley ID 876464