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(1RS,2SR)-1-ethynyl-2-(prop-2-en-1-ylamino)cyclohexanol
SpectraBase Compound ID 16SMFulGUDF
InChI InChI=1S/C11H17NO/c1-3-9-12-10-7-5-6-8-11(10,13)4-2/h2-3,10,12-13H,1,5-9H2/t10-,11-/m1/s1
InChIKey NQUALTMCVHDJCC-GHMZBOCLSA-N
Mol Weight 179.26 g/mol
Molecular Formula C11H17NO
Exact Mass 179.131014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AnnhXsPUHKR
Name (1RS,2SR)-1-ethynyl-2-(prop-2-en-1-ylamino)cyclohexanol
Appearance Non-viscous orange oil
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Exact Mass 179.131014170 u
Formula C11H17NO
InChI InChI=1S/C11H17NO/c1-3-9-12-10-7-5-6-8-11(10,13)4-2/h2-3,10,12-13H,1,5-9H2/t10-,11-/m1/s1
InChIKey NQUALTMCVHDJCC-GHMZBOCLSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201600273
Molecular Weight 179.263 g/mol
Quality 200
SMILES N([C@@]1(CCCC[C@@]1(C#C)O)[H])CC=C
SPLASH splash10-0ktf-9000000000-27e1636ee26f861786c2
Source of Spectrum QE-22-SM6-1b' (DOI: 10.1002/chem.201600273)
Thin-Layer Chromatography 0.18 (petroleum ether/EtOAc, 3:1)
Wiley ID 1904882