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3-(4-Chlorophenyl)-4,4,4-trifluorobutanenitrile
SpectraBase Compound ID HjejF5yqBjs
InChI InChI=1S/C10H7ClF3N/c11-8-3-1-7(2-4-8)9(5-6-15)10(12,13)14/h1-4,9H,5H2
InChIKey LWWFKFPDIPIXPJ-UHFFFAOYSA-N
Mol Weight 233.62 g/mol
Molecular Formula C10H7ClF3N
Exact Mass 233.021911 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 50Q7HedqfDS
Name 3-(4-Chlorophenyl)-4,4,4-trifluorobutanenitrile
Appearance Brown oil
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Formula C10H7ClF3N
InChI InChI=1S/C10H7ClF3N/c11-8-3-1-7(2-4-8)9(5-6-15)10(12,13)14/h1-4,9H,5H2
InChIKey LWWFKFPDIPIXPJ-UHFFFAOYSA-N
Instrument Name HRMS
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01988
Molecular Weight 233.621 g/mol
Reported Formula C10H7ClF3N
SMILES c1cc(ccc1Cl)C(C(F)(F)F)CC#N
SPLASH splash10-0006-0920000000-0c9dc7b077341c2a50bc
Source of Spectrum A1-23-SM27-2a
Wiley ID 1870231