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exo-2-Chloro-endo-2-(3-pyridyl)-7-(p-toluenesulfonyl)-7-azabicyclo[2.2.1]heptane
SpectraBase Compound ID LEruVMekf9
InChI InChI=1S/C18H19ClN2O2S/c1-13-4-7-16(8-5-13)24(22,23)21-15-6-9-17(21)18(19,11-15)14-3-2-10-20-12-14/h2-5,7-8,10,12,15,17H,6,9,11H2,1H3/t15-,17+,18+/m1/s1
InChIKey ATCFYKMOVGFHSE-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 I5KKzGXp5I3
Name exo-2-Chloro-endo-2-(3-pyridyl)-7-(p-toluenesulfonyl)-7-azabicyclo[2.2.1]heptane
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19ClN2O2S
InChI InChI=1S/C18H19ClN2O2S/c1-13-4-7-16(8-5-13)24(22,23)21-15-6-9-17(21)18(19,11-15)14-3-2-10-20-12-14/h2-5,7-8,10,12,15,17H,6,9,11H2,1H3/t15-,17+,18+/m1/s1
InChIKey ATCFYKMOVGFHSE-UHFFFAOYSA-N
Molecular Weight 362.875 g/mol
SMILES [C@]12(N(S(c3ccc(cc3)C)(=O)=O)[C@@](C[C@@]1(c1cnccc1)Cl)(CC2)[H])[H]
SPLASH splash10-00kf-9220000000-daa75a3e850376ba9469
Source of Spectrum E1-42-1435-13
Synonyms 2-Chloro-7-[(4-methylphenyl)sulfonyl]-2-(3-pyridinyl)-7-azabicyclo[2.2.1]heptane
Wiley ID 1552724