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exo-2-Chloro-endo-2-(2-chloro-5-pyridyl)-7-(p-toluenesulfonyl)-7-azabicyclo[2.2.1]heptane
SpectraBase Compound ID 66l5Wgy8Oja
InChI InChI=1S/C18H18Cl2N2O2S/c1-12-2-6-15(7-3-12)25(23,24)22-14-5-8-16(22)18(20,10-14)13-4-9-17(19)21-11-13/h2-4,6-7,9,11,14,16H,5,8,10H2,1H3/t14-,16+,18?/m1/s1
InChIKey CVMYDLQOHQZLBO-HMZVSMPESA-N
Mol Weight 397.32 g/mol
Molecular Formula C18H18Cl2N2O2S
Exact Mass 396.046604 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JaJc0P0M70Q
Name exo-2-Chloro-endo-2-(2-chloro-5-pyridyl)-7-(p-toluenesulfonyl)-7-azabicyclo[2.2.1]heptane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18Cl2N2O2S
InChI InChI=1S/C18H18Cl2N2O2S/c1-12-2-6-15(7-3-12)25(23,24)22-14-5-8-16(22)18(20,10-14)13-4-9-17(19)21-11-13/h2-4,6-7,9,11,14,16H,5,8,10H2,1H3/t14-,16+,18?/m1/s1
InChIKey CVMYDLQOHQZLBO-HMZVSMPESA-N
Molecular Weight 397.320 g/mol
SMILES [C@]12(N(S(c3ccc(cc3)C)(=O)=O)[C@@](CC1(c1cnc(cc1)Cl)Cl)(CC2)[H])[H]
SPLASH splash10-014i-9223000000-525c6086618d8886d6b9
Source of Spectrum E1-42-1435-13
Synonyms 2-Chloro-2-(6-chloro-3-pyridinyl)-7-[(4-methylphenyl)sulfonyl]-7-azabicyclo[2.2.1]heptane
Wiley ID 1552722