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1-[5-(6-Hydroxymethyl-1-aza-bicyclo[2.2.2]oct-3-yl)-3-methyl-4-prop-1-ynyl-biphenyl-2-yl]-ethanone
SpectraBase Compound ID 96PjC5tViot
InChI InChI=1S/C26H29NO2/c1-4-8-22-17(2)26(18(3)29)23(19-9-6-5-7-10-19)14-24(22)25-15-27-12-11-20(25)13-21(27)16-28/h5-7,9-10,14,20-21,25,28H,11-13,15-16H2,1-3H3/t20-,21+,25-/m1/s1
InChIKey VPDMCVPBVRPRNN-TYBLODHISA-N
Mol Weight 387.52 g/mol
Molecular Formula C26H29NO2
Exact Mass 387.219829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IfCN6whg3dD
Name 1-[5-(6-Hydroxymethyl-1-aza-bicyclo[2.2.2]oct-3-yl)-3-methyl-4-prop-1-ynyl-biphenyl-2-yl]-ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H29NO2
InChI InChI=1S/C26H29NO2/c1-4-8-22-17(2)26(18(3)29)23(19-9-6-5-7-10-19)14-24(22)25-15-27-12-11-20(25)13-21(27)16-28/h5-7,9-10,14,20-21,25,28H,11-13,15-16H2,1-3H3/t20-,21+,25-/m1/s1
InChIKey VPDMCVPBVRPRNN-TYBLODHISA-N
Molecular Weight 387.523 g/mol
SMILES OC[C@@]1(C[C@@]2([C@](c3c(c(C)c(c(c3)-c3ccccc3)C(=O)C)C#CC)(CN1CC2)[H])[H])[H]
SPLASH splash10-059i-0009000000-2e2eb6a664651178a183
Source of Spectrum F-65-6234-20
Synonyms [5-((1'S,2'R,4'S,5'S)-2'-hydroxymethyl-1'-azabicyclo[2.2.2]oct-5'-yl)3-methyl-4-prop-1-ynylbiphen-2-yl]methylketone
Wiley ID 1680195