2-Hydroxymethyl-5-(4-nitrophenylethynyl)-1-azabicyclo[2.2.2]octane

SpectraBase Compound ID	2b3i4CPX9ZJ
InChI	InChI=1S/C16H18N2O3/c19-11-16-9-13-7-8-17(16)10-14(13)4-1-12-2-5-15(6-3-12)18(20)21/h2-3,5-6,13-14,16,19H,7-11H2
InChIKey	BLFFPFQPHCTQQA-UHFFFAOYSA-N Google Search
Mol Weight	286.33 g/mol
Molecular Formula	C16H18N2O3
Exact Mass	286.131742 g/mol

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SpectraBase Spectrum ID	CNC2mylSrHo
Name	2-Hydroxymethyl-5-(4-nitrophenylethynyl)-1-azabicyclo[2.2.2]octane
Alternate Name(s)	(1S,2S,4S,5S)-2-Hydroxymethyl-5-(4-nitrophenylethynyl)-1-azabicyclo[2.2.2]octane {5-[(4-nitrophenyl)ethynyl]-1-azabicyclo[2.2.2]oct-2-yl}methanol
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H18N2O3
InChI	InChI=1S/C16H18N2O3/c19-11-16-9-13-7-8-17(16)10-14(13)4-1-12-2-5-15(6-3-12)18(20)21/h2-3,5-6,13-14,16,19H,7-11H2
InChIKey	BLFFPFQPHCTQQA-UHFFFAOYSA-N
Molecular Weight	286.331 g/mol
SMILES	OCC1CC2C(C#Cc3ccc(N(=O)=O)cc3)CN1CC2
SPLASH	splash10-0a4i-2190000000-f7b0e231bc5444b15788
Source of Spectrum	K-2001-58-23
Wiley ID	1578340