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1-[(1R,2R)-2-hex-1-ynylcyclopropyl]cyclohexanecarbonitrile
SpectraBase Compound ID CblFwE0wnOi
InChI InChI=1S/C16H23N/c1-2-3-4-6-9-14-12-15(14)16(13-17)10-7-5-8-11-16/h14-15H,2-5,7-8,10-12H2,1H3/t14-,15-/m1/s1
InChIKey JDQSNYRDHOHMSN-HUUCEWRRSA-N
Mol Weight 229.37 g/mol
Molecular Formula C16H23N
Exact Mass 229.18305 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3vJoFPEPu6J
Name 1-[(1R,2R)-2-hex-1-ynylcyclopropyl]cyclohexanecarbonitrile
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Exact Mass 229.183049745 u
Formula C16H23N
InChI InChI=1S/C16H23N/c1-2-3-4-6-9-14-12-15(14)16(13-17)10-7-5-8-11-16/h14-15H,2-5,7-8,10-12H2,1H3/t14-,15-/m1/s1
InChIKey JDQSNYRDHOHMSN-HUUCEWRRSA-N
Ionization Type EI
Molecular Weight 229.367 g/mol
Quality 313
Reported Formula C16H23N
SMILES C1([C@]2([C@@](C2)(C#CCCCC)[H])[H])(CCCCC1)C#N
SPLASH splash10-00di-9300000000-7241b8bad3138cc8137b
Source of Spectrum CN111362832B
Wiley ID 1894764