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Oxiranecarbonitrile, 3-[2-(3-methyl-1-butynyl)-1-cyclohexen-1-yl]-2-phenyl-, cis-
SpectraBase Compound ID L6yDtizb7Gq
InChI InChI=1S/C20H21NO/c1-15(2)12-13-16-8-6-7-11-18(16)19-20(14-21,22-19)17-9-4-3-5-10-17/h3-5,9-10,15,19H,6-8,11H2,1-2H3
InChIKey RIRPNIVBPKPRPP-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 EPVon4UyhsN
Name Oxiranecarbonitrile, 3-[2-(3-methyl-1-butynyl)-1-cyclohexen-1-yl]-2-phenyl-, cis-
CAS Registry Number 106180-40-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NO
InChI InChI=1S/C20H21NO/c1-15(2)12-13-16-8-6-7-11-18(16)19-20(14-21,22-19)17-9-4-3-5-10-17/h3-5,9-10,15,19H,6-8,11H2,1-2H3
InChIKey RIRPNIVBPKPRPP-UHFFFAOYSA-N
Molecular Weight 291.394 g/mol
SMILES C1(C(C2=C(C#CC(C)C)CCCC2)O1)(C#N)c1ccccc1
SPLASH splash10-0006-9010000000-6bc3297e32c6ba49a238
Source of Spectrum F-42-2229-5
Synonyms (Z)-3-[2-(3-methyl-1-butynyl)-1-cyclohexenyl]-2-phenyloxirne-2-carbonitrile 3-[2-(3-methyl-1-butynyl)-1-cyclohexen-1-yl]-2-phenyl-2-oxiranecarbonitrile
Wiley ID 1294799