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2-cyclohexyl-2-[(1S,2S)-2-hex-1-ynylcyclopropyl]propanenitrile
SpectraBase Compound ID GUIyTWycUfn
InChI InChI=1S/C18H27N/c1-3-4-5-7-10-15-13-17(15)18(2,14-19)16-11-8-6-9-12-16/h15-17H,3-6,8-9,11-13H2,1-2H3/t15-,17-,18?/m0/s1
InChIKey MXTSSGYTFNCOLE-LUIZSJORSA-N
Mol Weight 257.42 g/mol
Molecular Formula C18H27N
Exact Mass 257.21435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0vYYCn4nJ3
Name 2-cyclohexyl-2-[(1S,2S)-2-hex-1-ynylcyclopropyl]propanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 257.214349873 u
Formula C18H27N
InChI InChI=1S/C18H27N/c1-3-4-5-7-10-15-13-17(15)18(2,14-19)16-11-8-6-9-12-16/h15-17H,3-6,8-9,11-13H2,1-2H3/t15-,17-,18?/m0/s1
InChIKey MXTSSGYTFNCOLE-LUIZSJORSA-N
Ionization Type EI
Molecular Weight 257.421 g/mol
Quality 348
Reported Formula C18H27N
SMILES C([C@@]1([C@](C1)(C#CCCCC)[H])[H])(C)(C1CCCCC1)C#N
SPLASH splash10-057l-9620000000-24c5d16ce2772d385f51
Source of Spectrum CN111362832B
Wiley ID 1894779