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(1.alpha.,2.alpha.,4.alpha.,5.alpha.,7.alpha.,8.alpha.)-6,9-bis(4-methylphenylsulfonyl)-3-oxa-6,9-diazatetracyclo[6.1.0.0(2,4).0(5,7)]nonane

View entire compound with spectra: 1 MS (GC)

(1.alpha.,2.alpha.,4.alpha.,5.alpha.,7.alpha.,8.alpha.)-6,9-bis(4-methylphenylsulfonyl)-3-oxa-6,9-diazatetracyclo[6.1.0.0(2,4).0(5,7)]nonane
SpectraBase Compound ID BA0C2sLE54a
InChI InChI=1S/C20H20N2O5S2/c1-11-3-7-13(8-4-11)28(23,24)21-15-16-18(20-19(27-20)17(15)21)22(16)29(25,26)14-9-5-12(2)6-10-14/h3-10,15-20H,1-2H3/t15-,16-,17+,18+,19-,20-,21?,22?/m1/s1
InChIKey MIOBXYQJSLOADD-XQMGZCRZSA-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 DkBkKcP8ZN
Name (1.alpha.,2.alpha.,4.alpha.,5.alpha.,7.alpha.,8.alpha.)-6,9-bis(4-methylphenylsulfonyl)-3-oxa-6,9-diazatetracyclo[6.1.0.0(2,4).0(5,7)]nonane
CAS Registry Number 112346-62-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20N2O5S2
InChI InChI=1S/C20H20N2O5S2/c1-11-3-7-13(8-4-11)28(23,24)21-15-16-18(20-19(27-20)17(15)21)22(16)29(25,26)14-9-5-12(2)6-10-14/h3-10,15-20H,1-2H3/t15-,16-,17+,18+,19-,20-,21?,22?/m1/s1
InChIKey MIOBXYQJSLOADD-XQMGZCRZSA-N
Molecular Weight 432.509 g/mol
SMILES [C@@]12(N([C@@]1([C@@]1([C@@]([C@]3(N([C@]23[H])S(c2ccc(cc2)C)(=O)=O)[H])(O1)[H])[H])[H])S(c1ccc(cc1)C)(=O)=O)[H]
SPLASH splash10-0006-9510000000-28b0d5bfc01f33bf3059
Source of Spectrum K-121-774-2
Synonyms (1S,2R,4R,5S,7R,8R)-6,9-bis[(4-methylphenyl)sulfonyl]-3-oxa-6,9-diazatetracyclo[6.1.0.0(2,4).0(5,7)]nonane
Wiley ID 1382148