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(4aS,5R,7aR)-1-Tosyl-5-(1'-methyl-1'H-2'-pyrrolyl)-perhydrocyclopenta[b]pyridin-4-one
SpectraBase Compound ID 6vqKldPiByP
InChI InChI=1S/C20H24N2O3S/c1-14-5-7-15(8-6-14)26(24,25)22-13-11-19(23)20-16(9-10-18(20)22)17-4-3-12-21(17)2/h3-8,12,16,18,20H,9-11,13H2,1-2H3/t16-,18+,20-/m0/s1
InChIKey WUJOUEOHTPJXPE-HQRMLTQVSA-N
Mol Weight 372.48 g/mol
Molecular Formula C20H24N2O3S
Exact Mass 372.150764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jxy5OqgzC1a
Name (4aS,5R,7aR)-1-Tosyl-5-(1'-methyl-1'H-2'-pyrrolyl)-perhydrocyclopenta[b]pyridin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24N2O3S
InChI InChI=1S/C20H24N2O3S/c1-14-5-7-15(8-6-14)26(24,25)22-13-11-19(23)20-16(9-10-18(20)22)17-4-3-12-21(17)2/h3-8,12,16,18,20H,9-11,13H2,1-2H3/t16-,18+,20-/m0/s1
InChIKey WUJOUEOHTPJXPE-HQRMLTQVSA-N
Molecular Weight 372.483 g/mol
SMILES [C@@]12(N(S(c3ccc(cc3)C)(=O)=O)CCC([C@]1([C@](c1[n](ccc1)C)(CC2)[H])[H])=O)[H]
SPLASH splash10-00di-3947000000-271d19f2bace40094682
Source of Spectrum F5-6-3134-43
Synonyms 1-Tosyl-5-(1'-methyl-1H-2'-pyrrolyl)-perhydrocyclopenta[b]pyridin-4-one (4aS,5R,7aR)-5-(1-methyl-1H-pyrrol-2-yl)-1-tosylhexahydro-1H-cyclopenta[b]pyridin-4(4aH)-one
Wiley ID 1733550