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N-(Benzyloxycarbonyl)-7.beta.-(6'-chloro-3'-pyridyl)-9-azabicyclo[4.2.1]nonane
SpectraBase Compound ID 9WDFx2qFfc2
InChI InChI=1S/C21H23ClN2O2/c22-20-11-10-16(13-23-20)18-12-17-8-4-5-9-19(18)24(17)21(25)26-14-15-6-2-1-3-7-15/h1-3,6-7,10-11,13,17-19H,4-5,8-9,12,14H2/t17-,18+,19-/m0/s1
InChIKey JSNGCUQWMHFJBO-OTWHNJEPSA-N
Mol Weight 370.88 g/mol
Molecular Formula C21H23ClN2O2
Exact Mass 370.144806 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6nui5xBXjqK
Name N-(Benzyloxycarbonyl)-7.beta.-(6'-chloro-3'-pyridyl)-9-azabicyclo[4.2.1]nonane
Alternate Name(s) benzyl (6R,7R)-7-(6-chloro-3-pyridinyl)-9-azabicyclo[4.2.1]nonane-9-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23ClN2O2
InChI InChI=1S/C21H23ClN2O2/c22-20-11-10-16(13-23-20)18-12-17-8-4-5-9-19(18)24(17)21(25)26-14-15-6-2-1-3-7-15/h1-3,6-7,10-11,13,17-19H,4-5,8-9,12,14H2/t17-,18+,19-/m0/s1
InChIKey JSNGCUQWMHFJBO-OTWHNJEPSA-N
Molecular Weight 370.880 g/mol
SMILES [C@@]12(N([C@](C[C@@]2(c2cnc(cc2)Cl)[H])(CCCC1)[H])C(OCc1ccccc1)=O)[H]
SPLASH splash10-0006-9021000000-c1ebdac11e5a882f5cfa
Source of Spectrum K-2001-1049-19
Wiley ID 1578872