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Epibatidine - amide

View entire compound with spectra: 1 MS (GC)

Epibatidine - amide
SpectraBase Compound ID 58GUnSCYV8p
InChI InChI=1S/C16H21ClN2O2/c17-15-7-4-11(10-18-15)13-9-12-5-6-14(13)19(12)16(21)3-1-2-8-20/h4,7,10,12-14,20H,1-3,5-6,8-9H2/t12-,13+,14+/m0/s1
InChIKey IAAXUKKMHVAFBR-BFHYXJOUSA-N
Mol Weight 308.81 g/mol
Molecular Formula C16H21ClN2O2
Exact Mass 308.129156 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BahtvE25lYz
Name Epibatidine - amide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21ClN2O2
InChI InChI=1S/C16H21ClN2O2/c17-15-7-4-11(10-18-15)13-9-12-5-6-14(13)19(12)16(21)3-1-2-8-20/h4,7,10,12-14,20H,1-3,5-6,8-9H2/t12-,13+,14+/m0/s1
InChIKey IAAXUKKMHVAFBR-BFHYXJOUSA-N
Molecular Weight 308.809 g/mol
SMILES OCCCCC(N1[C@]2([C@@](c3cnc(cc3)Cl)(C[C@@]1(CC2)[H])[H])[H])=O
SPLASH splash10-014i-9620000000-34ac0374322b1c7b1959
Source of Spectrum X2-68-1556-1575
Synonyms 5-{N(7)-(Hydroxybutylcarbonyl)-7-azabicyclo[2.2.1]cyclohexyl}-2-chloropyridine
Wiley ID 1610239