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2-(2-Chloro-5-pyridyl)-7-(p-toluenesulfonyl)-7-azabicyclo[2.2.1]hept-2-ene
SpectraBase Compound ID 6oSpSHqtIyj
InChI InChI=1S/C18H17ClN2O2S/c1-12-2-6-15(7-3-12)24(22,23)21-14-5-8-17(21)16(10-14)13-4-9-18(19)20-11-13/h2-4,6-7,9-11,14,17H,5,8H2,1H3/t14-,17+/m0/s1
InChIKey DOJKYYVKUZYDLK-WMLDXEAASA-N
Mol Weight 360.86 g/mol
Molecular Formula C18H17ClN2O2S
Exact Mass 360.069927 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID vUjxjbzkRb
Name 2-(2-Chloro-5-pyridyl)-7-(p-toluenesulfonyl)-7-azabicyclo[2.2.1]hept-2-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17ClN2O2S
InChI InChI=1S/C18H17ClN2O2S/c1-12-2-6-15(7-3-12)24(22,23)21-14-5-8-17(21)16(10-14)13-4-9-18(19)20-11-13/h2-4,6-7,9-11,14,17H,5,8H2,1H3/t14-,17+/m0/s1
InChIKey DOJKYYVKUZYDLK-WMLDXEAASA-N
Molecular Weight 360.859 g/mol
SMILES [C@]12(C(=C[C@](CC2)(N1S(=O)(=O)c1ccc(cc1)C)[H])c1ccc(nc1)Cl)[H]
SPLASH splash10-000x-9305000000-9cf0f621de6ac2acced2
Source of Spectrum E1-42-1435-12
Synonyms 2-(6-Chloro-3-pyridinyl)-7-[(4-methylphenyl)sulfonyl]-7-azabicyclo[2.2.1]hept-2-ene
Wiley ID 1552723