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(1S,2S)-2-phenylcyclopropane-1-carbonitrile
SpectraBase Compound ID INq59xD3knd
InChI InChI=1S/C10H9N/c11-7-9-6-10(9)8-4-2-1-3-5-8/h1-5,9-10H,6H2/t9-,10-/m1/s1
InChIKey KUCVFITUDJTMFA-NXEZZACHSA-N
Mol Weight 143.19 g/mol
Molecular Formula C10H9N
Exact Mass 143.073499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L3jmh2tZq38
Name (1S,2S)-2-phenylcyclopropane-1-carbonitrile
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 143.073499294 u
Formula C10H9N
InChI InChI=1S/C10H9N/c11-7-9-6-10(9)8-4-2-1-3-5-8/h1-5,9-10H,6H2/t9-,10-/m1/s1
InChIKey KUCVFITUDJTMFA-NXEZZACHSA-N
Instrument Name Shimadzu GC-2010
Ionization Type EI
Literature Reference DOI 10.1002/anie.201810059
Molecular Weight 143.189 g/mol
SMILES C1=CC=C(C=C1)[C@@]1([C@](C1)(C#N)[H])[H]
SPLASH splash10-014i-0900000000-5271af76cbdcb971bf47
Sample Comments >99% de, 96% ee
Source of Spectrum ACI-57-SM31-3b (DOI: 10.1002/anie.201810059)
Wiley ID 1893620