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exo-5-(6-Chloro-3-pyridyl)-2-(4-methylphenylsulfonyl)-2-azabicyclo[2.2.1]heptane
SpectraBase Compound ID 6dDE1CsFMWR
InChI InChI=1S/C18H19ClN2O2S/c1-12-2-5-16(6-3-12)24(22,23)21-11-14-8-15(21)9-17(14)13-4-7-18(19)20-10-13/h2-7,10,14-15,17H,8-9,11H2,1H3
InChIKey IBGHGTXZCQFIGU-UHFFFAOYSA-N
Mol Weight 362.88 g/mol
Molecular Formula C18H19ClN2O2S
Exact Mass 362.085577 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5BjIC2cFY3P
Name exo-5-(6-Chloro-3-pyridyl)-2-(4-methylphenylsulfonyl)-2-azabicyclo[2.2.1]heptane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19ClN2O2S
InChI InChI=1S/C18H19ClN2O2S/c1-12-2-5-16(6-3-12)24(22,23)21-11-14-8-15(21)9-17(14)13-4-7-18(19)20-10-13/h2-7,10,14-15,17H,8-9,11H2,1H3
InChIKey IBGHGTXZCQFIGU-UHFFFAOYSA-N
Molecular Weight 362.875 g/mol
SMILES C12N(S(c3ccc(cc3)C)(=O)=O)CC(C(C1)c1cnc(cc1)Cl)C2
SPLASH splash10-05fr-3491000000-e593933dadd886901472
Source of Spectrum F-54-8052-8
Synonyms 5-(6-Chloro-3-pyridinyl)-2-[(4-methylphenyl)sulfonyl]-2-azabicyclo[2.2.1]heptane
Wiley ID 807889