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exo-N-BOC-Epibatidine
SpectraBase Compound ID Dcz2GqbRCB3
InChI InChI=1S/C16H21ClN2O2/c1-16(2,3)21-15(20)19-11-5-6-13(19)12(8-11)10-4-7-14(17)18-9-10/h4,7,9,11-13H,5-6,8H2,1-3H3/t11-,12-,13+/m1/s1
InChIKey RTAAARFOFLNGCU-UPJWGTAASA-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 LD6mDj7xhDK
Name exo-N-BOC-Epibatidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21ClN2O2
InChI InChI=1S/C16H21ClN2O2/c1-16(2,3)21-15(20)19-11-5-6-13(19)12(8-11)10-4-7-14(17)18-9-10/h4,7,9,11-13H,5-6,8H2,1-3H3/t11-,12-,13+/m1/s1
InChIKey RTAAARFOFLNGCU-UPJWGTAASA-N
Molecular Weight 308.809 g/mol
SMILES C(N1[C@@]2([C@@](c3cnc(cc3)Cl)(C[C@]1(CC2)[H])[H])[H])(OC(C)(C)C)=O
SPLASH splash10-0a4l-9420000000-c658c403cc3fdc66a2de
Source of Spectrum J-63-767-32
Synonyms endo-N-BOC-Epibatidine tert-Butyl 2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-7-carboxylate
Wiley ID 1309673