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1-[4-(4-nitrophenoxy)phenyl]sulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
SpectraBase Compound ID GV88Refq7Tj
InChI InChI=1S/C21H22N2O6S/c24-21-13-14-22(20-4-2-1-3-19(20)21)30(27,28)18-11-9-17(10-12-18)29-16-7-5-15(6-8-16)23(25)26/h5-12,19-20H,1-4,13-14H2
InChIKey MZANFQNQIXOJOX-UHFFFAOYSA-N
Mol Weight 430.48 g/mol
Molecular Formula C21H22N2O6S
Exact Mass 430.119858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LmPUNnqnJ9H
Name 1-[4-(4-nitrophenoxy)phenyl]sulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O6S
InChI InChI=1S/C21H22N2O6S/c24-21-13-14-22(20-4-2-1-3-19(20)21)30(27,28)18-11-9-17(10-12-18)29-16-7-5-15(6-8-16)23(25)26/h5-12,19-20H,1-4,13-14H2
InChIKey MZANFQNQIXOJOX-UHFFFAOYSA-N
Molecular Weight 430.475 g/mol
SMILES C1CCC2C(N(S(c3ccc(Oc4ccc(N(=O)=O)cc4)cc3)(=O)=O)CCC2=O)C1
SPLASH splash10-0w4i-8920000000-8b17d028b0df373d1311
Wiley ID 1442130