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(Z,Z,Z)-4,7-dihydro-4,7-bis(4-methylphenylsulfonyl)-1,4,7-oxadiazonin
SpectraBase Compound ID JatszaVYwzA
InChI InChI=1S/C20H20N2O5S2/c1-17-3-7-19(8-4-17)28(23,24)21-11-12-22(14-16-27-15-13-21)29(25,26)20-9-5-18(2)6-10-20/h3-16H,1-2H3/b12-11-,15-13-,16-14-
InChIKey JCUSEXBPZYGMJZ-WWFVKWGCSA-N
Mol Weight 432.51 g/mol
Molecular Formula C20H20N2O5S2
Exact Mass 432.081364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 65SqI9x9jNd
Name (Z,Z,Z)-4,7-dihydro-4,7-bis(4-methylphenylsulfonyl)-1,4,7-oxadiazonin
CAS Registry Number 112297-72-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20N2O5S2
InChI InChI=1S/C20H20N2O5S2/c1-17-3-7-19(8-4-17)28(23,24)21-11-12-22(14-16-27-15-13-21)29(25,26)20-9-5-18(2)6-10-20/h3-16H,1-2H3/b12-11-,15-13-,16-14-
InChIKey JCUSEXBPZYGMJZ-WWFVKWGCSA-N
Molecular Weight 432.509 g/mol
SMILES c1(S(N2\C=C/N(S(c3ccc(cc3)C)(=O)=O)\C=C/O\C=C/2)(=O)=O)ccc(cc1)C
SPLASH splash10-000f-7930000000-b4439429114c687223cc
Source of Spectrum K-121-778-67
Synonyms 4,7-bis[(4-methylphenyl)sulfonyl]-4,7-dihydro-1,4,7-oxadiazonine
Wiley ID 1382149