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(1S,2S)-2-phenoxycyclopropane-1-carbonitrile
SpectraBase Compound ID 7CjI40Ete1s
InChI InChI=1S/C10H9NO/c11-7-8-6-10(8)12-9-4-2-1-3-5-9/h1-5,8,10H,6H2/t8-,10+/m1/s1
InChIKey PMCBEBSFMIGDSD-SCZZXKLOSA-N
Mol Weight 159.19 g/mol
Molecular Formula C10H9NO
Exact Mass 159.068414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EaCuxccsS4J
Name (1S,2S)-2-phenoxycyclopropane-1-carbonitrile
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 159.068413913 u
Formula C10H9NO
InChI InChI=1S/C10H9NO/c11-7-8-6-10(8)12-9-4-2-1-3-5-9/h1-5,8,10H,6H2/t8-,10+/m1/s1
InChIKey PMCBEBSFMIGDSD-SCZZXKLOSA-N
Instrument Name Shimadzu GC-2010
Ionization Type EI
Literature Reference DOI 10.1002/anie.201810059
Molecular Weight 159.188 g/mol
Quality 27
SMILES [C@]1(OC2=CC=CC=C2)([C@](C1)(C#N)[H])[H]
SPLASH splash10-001i-0900000000-02959b3d978a5a1bd1b6
Sample Comments 99% de, 99% ee
Source of Spectrum ACI-57-SM36-5c (DOI: 10.1002/anie.201810059)
Wiley ID 1893636