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(3aS,4R,7aR)-1-Tosyl-4-(1'-methyl-1'H-2'-pyrrolyl)-perhydro-3-indolone
SpectraBase Compound ID 2YCk11dMwoz
InChI InChI=1S/C20H24N2O3S/c1-14-8-10-15(11-9-14)26(24,25)22-13-19(23)20-16(5-3-6-18(20)22)17-7-4-12-21(17)2/h4,7-12,16,18,20H,3,5-6,13H2,1-2H3/t16-,18+,20-/m0/s1
InChIKey UNQVJIJCHFTQCI-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 5byi9aA4HlV
Name (3aS,4R,7aR)-1-Tosyl-4-(1'-methyl-1'H-2'-pyrrolyl)-perhydro-3-indolone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24N2O3S
InChI InChI=1S/C20H24N2O3S/c1-14-8-10-15(11-9-14)26(24,25)22-13-19(23)20-16(5-3-6-18(20)22)17-7-4-12-21(17)2/h4,7-12,16,18,20H,3,5-6,13H2,1-2H3/t16-,18+,20-/m0/s1
InChIKey UNQVJIJCHFTQCI-HQRMLTQVSA-N
Molecular Weight 372.483 g/mol
SMILES [C@@]12(N(S(c3ccc(cc3)C)(=O)=O)CC([C@]1([C@](c1[n](ccc1)C)(CCC2)[H])[H])=O)[H]
SPLASH splash10-00di-1946000000-b476bce0481ab0c08980
Source of Spectrum F5-6-3134-44
Synonyms 1-Tosyl-4-(1'-methyl-1H-2'-pyrrolyl)-perhydro-3-indolone (3aS,4R,7aR)-4-(1-methyl-1H-pyrrol-2-yl)-1-tosylhexahydro-1H-indol-3(2H)-one
Wiley ID 1733549