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2-Oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione, 7,9-bis[(4-methoxyphenyl)methyl]-5-[[(methylsulfonyl)oxy]methyl]-, (1.alpha.,5.alpha.,6.alpha.)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

2-Oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione, 7,9-bis[(4-methoxyphenyl)methyl]-5-[[(methylsulfonyl)oxy]methyl]-, (1.alpha.,5.alpha.,6.alpha.)-(.+-.)-
SpectraBase Compound ID J8rSq7mEqF4
InChI InChI=1S/C25H30N2O8S/c1-32-20-8-4-17(5-9-20)14-26-22-19(16-35-36(3,30)31)12-13-34-25(24(26)29)27(23(22)28)15-18-6-10-21(33-2)11-7-18/h4-11,19,22,25H,12-16H2,1-3H3/t19-,22+,25+/m1/s1
InChIKey QDJQZUZJOKYPDP-WPWBMXPQSA-N
Mol Weight 518.58 g/mol
Molecular Formula C25H30N2O8S
Exact Mass 518.172287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2XA1khH16mK
Name 2-Oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione, 7,9-bis[(4-methoxyphenyl)methyl]-5-[[(methylsulfonyl)oxy]methyl]-, (1.alpha.,5.alpha.,6.alpha.)-(.+-.)-
CAS Registry Number 95782-41-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H30N2O8S
InChI InChI=1S/C25H30N2O8S/c1-32-20-8-4-17(5-9-20)14-26-22-19(16-35-36(3,30)31)12-13-34-25(24(26)29)27(23(22)28)15-18-6-10-21(33-2)11-7-18/h4-11,19,22,25H,12-16H2,1-3H3/t19-,22+,25+/m1/s1
InChIKey QDJQZUZJOKYPDP-WPWBMXPQSA-N
Molecular Weight 518.581 g/mol
SMILES C1(N([C@]2(OCC[C@@]([C@@]1(N(C2=O)Cc1ccc(cc1)OC)[H])(COS(=O)(=O)C)[H])[H])Cc1ccc(cc1)OC)=O
SPLASH splash10-00di-0900000000-b58cee715a9046411ab1
Source of Spectrum C-107-3264-0
Synonyms 8,10-bis(p-methoxybenzyl)-8,10-diaza-5-((methylsulfonyl)methyl)-2-oxabicyclo[4.2.2]decane-7,9-dione (isomer b) [(1S,5S,6R)-7,9-bis(4-methoxybenzyl)-8,10-dioxo-2-oxa-7,9-diazabicyclo[4.2.2]dec-5-yl]methyl methanesulfonate
Wiley ID 1401642