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(1S,2S)-2-(4-fluorophenyl)cyclopropane-1-carbonitrile
SpectraBase Compound ID IgKYlGbUCRX
InChI InChI=1S/C10H8FN/c11-9-3-1-7(2-4-9)10-5-8(10)6-12/h1-4,8,10H,5H2/t8-,10-/m1/s1
InChIKey OVPOMMOAYYSVOO-PSASIEDQSA-N
Mol Weight 161.18 g/mol
Molecular Formula C10H8FN
Exact Mass 161.064077 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6O6CGJOpWcT
Name (1S,2S)-2-(4-fluorophenyl)cyclopropane-1-carbonitrile
Appearance White solid
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Exact Mass 161.064077425 u
Formula C10H8FN
InChI InChI=1S/C10H8FN/c11-9-3-1-7(2-4-9)10-5-8(10)6-12/h1-4,8,10H,5H2/t8-,10-/m1/s1
InChIKey OVPOMMOAYYSVOO-PSASIEDQSA-N
Instrument Name Shimadzu GC-2010
Ionization Type EI
Literature Reference DOI 10.1002/anie.201810059
Molecular Weight 161.179 g/mol
SMILES C1(=CC=C(C=C1)[C@@]1([C@](C1)(C#N)[H])[H])F
SPLASH splash10-03di-0900000000-8bdfefcc33d5226c65ee
Sample Comments >99% de, >99% ee
Source of Spectrum ACI-57-SM32-3d (DOI: 10.1002/anie.201810059)
Wiley ID 1893622