tert-Butyl (1S*,4R*,6S*)-6-(6-Chloro-3-pyridyl)-2-oxa-3-aza-bicyclo[2.2.2]octane-3-carboxylate

SpectraBase Compound ID	9Gd8np9hyb5
InChI	InChI=1S/C16H21ClN2O3/c1-16(2,3)21-15(20)19-11-5-6-13(22-19)12(8-11)10-4-7-14(17)18-9-10/h4,7,9,11-13H,5-6,8H2,1-3H3/t11-,12+,13+/m0/s1
InChIKey	LVEADWZBMNJKNJ-YNEHKIRRSA-N Google Search
Mol Weight	324.81 g/mol
Molecular Formula	C16H21ClN2O3
Exact Mass	324.12407 g/mol

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SpectraBase Spectrum ID	78xV2isxF4N
Name	tert-Butyl (1S,4R,6S*)-6-(6-Chloro-3-pyridyl)-2-oxa-3-aza-bicyclo[2.2.2]octane-3-carboxylate
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H21ClN2O3
InChI	InChI=1S/C16H21ClN2O3/c1-16(2,3)21-15(20)19-11-5-6-13(22-19)12(8-11)10-4-7-14(17)18-9-10/h4,7,9,11-13H,5-6,8H2,1-3H3/t11-,12+,13+/m0/s1
InChIKey	LVEADWZBMNJKNJ-YNEHKIRRSA-N
Molecular Weight	324.808 g/mol
SMILES	C(N1O[C@]2([C@](C[C@@]1(CC2)[H])(c1cnc(cc1)Cl)[H])[H])(OC(C)(C)C)=O
SPLASH	splash10-0a4i-9000000000-32674bcf8745025865bb
Source of Spectrum	J-63-8404-23
Synonyms	tert-butyl (1S,4R,6S)-6-(6-chloro-3-pyridinyl)-2-oxa-3-azabicyclo[2.2.2]octane-3-carboxylate tert-Butyl 6-(6-Chloro-3-pyridyl)-2-oxa-3-aza-bicyclo[2.2.2]octane-3-carboxylate
Wiley ID	1323044