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

View entire compound with spectra: 1 MS (GC)

2-Hydroxymethyl-5-(4-ethoxycarbonylphenylethynyl)-1-azabicyclo[2.2.2]octane
SpectraBase Compound ID JQRgXJGfH6D
InChI InChI=1S/C19H23NO3/c1-2-23-19(22)15-6-3-14(4-7-15)5-8-17-12-20-10-9-16(17)11-18(20)13-21/h3-4,6-7,16-18,21H,2,9-13H2,1H3
InChIKey GEZQBWZWZWILMT-UHFFFAOYSA-N
Mol Weight 313.4 g/mol
Molecular Formula C19H23NO3
Exact Mass 313.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HRrwbfDShij
Name 2-Hydroxymethyl-5-(4-ethoxycarbonylphenylethynyl)-1-azabicyclo[2.2.2]octane
Alternate Name(s) (1S,2S,4S,5S)-2-Hydroxymethyl-5-(4-ethoxycarbonylphenylethynyl)-1-azabicyclo[2.2.2]octane Ethyl 4-{[6-(hydroxymethyl)-1-azabicyclo[2.2.2]oct-3-yl]ethynyl}benzoate
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Formula C19H23NO3
InChI InChI=1S/C19H23NO3/c1-2-23-19(22)15-6-3-14(4-7-15)5-8-17-12-20-10-9-16(17)11-18(20)13-21/h3-4,6-7,16-18,21H,2,9-13H2,1H3
InChIKey GEZQBWZWZWILMT-UHFFFAOYSA-N
Molecular Weight 313.397 g/mol
SMILES OCC1N2CC(C#Cc3ccc(C(=O)OCC)cc3)C(CC2)C1
SPLASH splash10-001i-0090000000-ef40c29a521e74dc0a77
Source of Spectrum K-2001-58-23
Wiley ID 1578339