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N-(5-PHENYLHEPT-4-YNYL)-PIPERIDINE_HYDROGEN_OXALATE

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N-(5-PHENYLHEPT-4-YNYL)-PIPERIDINE_HYDROGEN_OXALATE
SpectraBase Compound ID 22i50R4mJQt
InChI InChI=1S/C18H25N.C2H2O4/c1(2-6-12-18-13-7-4-8-14-18)3-9-15-19-16-10-5-11-17-19;3-1(4)2(5)6/h4,7-8,13-14H,3,5-6,9-12,15-17H2;(H,3,4)(H,5,6)
InChIKey KNQLVIYIDFMBTE-UHFFFAOYSA-N
Mol Weight 345.44 g/mol
Molecular Formula C20H27NO4
Exact Mass 345.194008 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G7xmGC4Riak
Name N-(5-PHENYLHEPT-4-YNYL)-PIPERIDINE_HYDROGEN_OXALATE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H27NO4
InChI InChI=1S/C18H25N.C2H2O4/c1(2-6-12-18-13-7-4-8-14-18)3-9-15-19-16-10-5-11-17-19;3-1(4)2(5)6/h4,7-8,13-14H,3,5-6,9-12,15-17H2;(H,3,4)(H,5,6)
InChIKey KNQLVIYIDFMBTE-UHFFFAOYSA-N
Literature Reference Author G.MEIER,X.LIGNEAU,H.H.PERTZ,C.R.GANELLIN,J.C.SCHWARTZ,W.SCHU NACK,H.STARK
Literature Reference Citation BIOORG.MED.CHEM.,10,2535(2002)
Literature Reference DOI 10.1016/S0968-0896(02)00115-3
Molecular Weight 345.439 g/mol
Solvent CF3COOD
Source File Reference UWMZ18753