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1-(2-Ethylbutyl)cyclohexane-1-carbonitrile
SpectraBase Compound ID E3IBrfaP1Nf
InChI InChI=1S/C13H23N/c1-3-12(4-2)10-13(11-14)8-6-5-7-9-13/h12H,3-10H2,1-2H3
InChIKey DRMOLJPDSCAGCC-UHFFFAOYSA-N
Mol Weight 193.33 g/mol
Molecular Formula C13H23N
Exact Mass 193.18305 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BlpbNHNQtf1
Name 1-(2-Ethylbutyl)cyclohexane-1-carbonitrile
Appearance Yellow oil
Carrier Gas Helium
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Exact Mass 193.183049745 u
Formula C13H23N
GC Oven Program Oven temp 300oC
InChI InChI=1S/C13H23N/c1-3-12(4-2)10-13(11-14)8-6-5-7-9-13/h12H,3-10H2,1-2H3
InChIKey DRMOLJPDSCAGCC-UHFFFAOYSA-N
Instrument Name Micromass GCT
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201801462
Molecular Weight 193.334 g/mol
Quality 150
Reported Formula C13H23N
SMILES C(C)C(CC1(CCCCC1)C#N)CC
SPLASH splash10-01p9-0900000000-1b2daf41d4c909b97099
Source of Spectrum K1-2018-7042-2a (DOI: 10.1002/ejoc.201801462)
Wiley ID 1897033