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[(4S,7S)-3-(2-phenylethynyl)-1-azabicyclo[2.2.2]oct-2-en-7-yl]methanol

View entire compound with spectra: 1 NMR, and 1 MS (GC)

[(4S,7S)-3-(2-phenylethynyl)-1-azabicyclo[2.2.2]oct-2-en-7-yl]methanol
SpectraBase Compound ID GBwa1tAdqQI
InChI InChI=1S/C16H17NO/c18-12-16-10-14-8-9-17(16)11-15(14)7-6-13-4-2-1-3-5-13/h1-5,11,14,16,18H,8-10,12H2/t14-,16-/m0/s1
InChIKey NTPODJCQYFPKTA-HOCLYGCPSA-N
Mol Weight 239.32 g/mol
Molecular Formula C16H17NO
Exact Mass 239.131014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Azg9Cp1DPv6
Name (1S,2S,4S)-2-Hydroxymethyl-5-(phenylethynyl)-1-azabicyclo[2.2.2]oct-5-ene
Alternate Name(s) [(2S,4S)-5-(phenylethynyl)-1-azabicyclo[2.2.2]oct-5-en-2-yl]methanol
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Formula C16H17NO
InChI InChI=1S/C16H17NO/c18-12-16-10-14-8-9-17(16)11-15(14)7-6-13-4-2-1-3-5-13/h1-5,11,14,16,18H,8-10,12H2/t14-,16-/m0/s1
InChIKey NTPODJCQYFPKTA-HOCLYGCPSA-N
Molecular Weight 239.318 g/mol
SMILES OC[C@]1(N2C=C([C@](C1)(CC2)[H])C#Cc1ccccc1)[H]
SPLASH splash10-056r-1960000000-cab8ab65b3af4b7a544c
Source of Spectrum K-2001-61-27
Wiley ID 1578327