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Oxiranecarbonitrile, 3-[2-(1-hexynyl)-1-cyclopenten-1-yl]-2-phenyl-, cis-
SpectraBase Compound ID E9yIu5KgbhE
InChI InChI=1S/C20H21NO/c1-2-3-4-6-10-16-11-9-14-18(16)19-20(15-21,22-19)17-12-7-5-8-13-17/h5,7-8,12-13,19H,2-4,9,11,14H2,1H3
InChIKey WKLFKAXCDVIJKO-UHFFFAOYSA-N
Mol Weight 291.39 g/mol
Molecular Formula C20H21NO
Exact Mass 291.162314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BZ8M7VMwFTa
Name Oxiranecarbonitrile, 3-[2-(1-hexynyl)-1-cyclopenten-1-yl]-2-phenyl-, cis-
CAS Registry Number 106180-38-5
Comments Less than 3 mono-isotopic peaks
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Formula C20H21NO
InChI InChI=1S/C20H21NO/c1-2-3-4-6-10-16-11-9-14-18(16)19-20(15-21,22-19)17-12-7-5-8-13-17/h5,7-8,12-13,19H,2-4,9,11,14H2,1H3
InChIKey WKLFKAXCDVIJKO-UHFFFAOYSA-N
Molecular Weight 291.394 g/mol
SMILES C1(C(C2=C(C#CCCCC)CCC2)O1)(C#N)c1ccccc1
SPLASH splash10-001i-0090000000-ced62bff5b59bfd7bfda
Source of Spectrum F-42-2229-5
Synonyms (Z)-3-[2-(1-hexynyl)-1-cyclopentenyl]-2-phenyloxirane-2-carbonitrile 3-[2-(1-hexynyl)-1-cyclopenten-1-yl]-2-phenyl-2-oxiranecarbonitrile
Wiley ID 1294798