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(E),(S)-1-((S)-1-phenylnon-1-yn-3-yl)pyrrolidine-2-carbaldehyde oxime
SpectraBase Compound ID JbEyklfreUr
InChI InChI=1S/C20H28N2O/c1-2-3-4-8-12-19(15-14-18-10-6-5-7-11-18)22-16-9-13-20(22)17-21-23/h5-7,10-11,17,19-20,23H,2-4,8-9,12-13,16H2,1H3/b21-17+/t19-,20-/m0/s1
InChIKey KAOXGZUSOASIRT-CSOYTBAWSA-N
Mol Weight 312.46 g/mol
Molecular Formula C20H28N2O
Exact Mass 312.220164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AxCpxlY4N5J
Name (E),(S)-1-((S)-1-phenylnon-1-yn-3-yl)pyrrolidine-2-carbaldehyde oxime
Alternate Name(s) (E)-1-((S)-1-phenylnon-1-yn-3-yl)pyrrolidine-2-carbaldehyde oxime
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28N2O
InChI InChI=1S/C20H28N2O/c1-2-3-4-8-12-19(15-14-18-10-6-5-7-11-18)22-16-9-13-20(22)17-21-23/h5-7,10-11,17,19-20,23H,2-4,8-9,12-13,16H2,1H3/b21-17+/t19-,20-/m0/s1
InChIKey KAOXGZUSOASIRT-CSOYTBAWSA-N
Literature Reference DOI 10.1002/ajoc.201600223
Molecular Weight 312.457 g/mol
SMILES O\N=C\[C@]1(N([C@@](CCCCCC)(C#Cc2ccccc2)[H])CCC1)[H]
SPLASH splash10-004i-1290000000-0d5e9d50f4a0292492d9
Source of Spectrum AJO-5-1023-6j
Wiley ID 1798865