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2-(3-Pyridyl)-7-(p-toluenesulfonyl)-7-azabicyclo[2.2.1]hept-2-ene
SpectraBase Compound ID FGwF1tvyJEy
InChI InChI=1S/C18H18N2O2S/c1-13-4-7-16(8-5-13)23(21,22)20-15-6-9-18(20)17(11-15)14-3-2-10-19-12-14/h2-5,7-8,10-12,15,18H,6,9H2,1H3/t15-,18+/m0/s1
InChIKey CBWLWGURSZKUSG-MAUKXSAKSA-N
Mol Weight 326.41 g/mol
Molecular Formula C18H18N2O2S
Exact Mass 326.108899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Joa3GyPLIuz
Name 2-(3-Pyridyl)-7-(p-toluenesulfonyl)-7-azabicyclo[2.2.1]hept-2-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18N2O2S
InChI InChI=1S/C18H18N2O2S/c1-13-4-7-16(8-5-13)23(21,22)20-15-6-9-18(20)17(11-15)14-3-2-10-19-12-14/h2-5,7-8,10-12,15,18H,6,9H2,1H3/t15-,18+/m0/s1
InChIKey CBWLWGURSZKUSG-MAUKXSAKSA-N
Molecular Weight 326.414 g/mol
SMILES [C@]12(C(=C[C@](CC2)(N1S(=O)(=O)c1ccc(cc1)C)[H])c1cnccc1)[H]
SPLASH splash10-0007-9570000000-bc504fd47cf749e3c73b
Source of Spectrum E1-42-1435-12
Synonyms 7-[(4-methylphenyl)sulfonyl]-2-(3-pyridinyl)-7-azabicyclo[2.2.1]hept-2-ene
Wiley ID 1552725