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1-[(1S,2S)-2-hex-5-en-1-ynylcyclopropyl]cyclohexanecarbonitrile
SpectraBase Compound ID 5uqWqttAp11
InChI InChI=1S/C16H21N/c1-2-3-4-6-9-14-12-15(14)16(13-17)10-7-5-8-11-16/h2,14-15H,1,3-5,7-8,10-12H2/t14-,15-/m0/s1
InChIKey GTNRVQGHPPDMEZ-GJZGRUSLSA-N
Mol Weight 227.35 g/mol
Molecular Formula C16H21N
Exact Mass 227.1674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3G5SkSd1mNd
Name 1-[(1S,2S)-2-hex-5-en-1-ynylcyclopropyl]cyclohexanecarbonitrile
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Exact Mass 227.167399680 u
Formula C16H21N
InChI InChI=1S/C16H21N/c1-2-3-4-6-9-14-12-15(14)16(13-17)10-7-5-8-11-16/h2,14-15H,1,3-5,7-8,10-12H2/t14-,15-/m0/s1
InChIKey GTNRVQGHPPDMEZ-GJZGRUSLSA-N
Ionization Type EI
Molecular Weight 227.351 g/mol
Quality 289
Reported Formula C16H21N
SMILES C1([C@@]2([C@](C2)(C#CCCC=C)[H])[H])(CCCCC1)C#N
SPLASH splash10-014o-9800000000-dd8720e6b9b37bd4939b
Source of Spectrum CN111362832B
Wiley ID 1894793