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(Z)-3-(2-ethynyl-1-cyclohexenyl)-2-phenyloxirane-2-carbonitrile
SpectraBase Compound ID Anpd1dhyHV7
InChI InChI=1S/C17H15NO/c1-2-13-8-6-7-11-15(13)16-17(12-18,19-16)14-9-4-3-5-10-14/h1,3-5,9-10,16H,6-8,11H2
InChIKey XURBMIXJLXTQLP-UHFFFAOYSA-N
Mol Weight 249.31 g/mol
Molecular Formula C17H15NO
Exact Mass 249.115364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LpevSrFL2pJ
Name (Z)-3-(2-ethynyl-1-cyclohexenyl)-2-phenyloxirane-2-carbonitrile
CAS Registry Number 106180-39-6
Comments Less than 3 mono-isotopic peaks
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Formula C17H15NO
InChI InChI=1S/C17H15NO/c1-2-13-8-6-7-11-15(13)16-17(12-18,19-16)14-9-4-3-5-10-14/h1,3-5,9-10,16H,6-8,11H2
InChIKey XURBMIXJLXTQLP-UHFFFAOYSA-N
Molecular Weight 249.313 g/mol
SMILES C1(C(C2=C(C#C)CCCC2)O1)(C#N)c1ccccc1
SPLASH splash10-004i-9010000000-bfc84c3437a44aa60e84
Source of Spectrum F-42-2229-5
Synonyms 3-(2-ethynyl-1-cyclohexen-1-yl)-2-phenyl-2-oxiranecarbonitrile
Wiley ID 1252454