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3-(Phenylsulfonylethyl)-4-phenyl-7-methyl-3,7-diaza-2-oxabicyclo[3.3.0]octane-6,8-dione
SpectraBase Compound ID CiY2KytiisF
InChI InChI=1S/C20H20N2O5S/c1-21-19(23)16-17(14-8-4-2-5-9-14)22(27-18(16)20(21)24)12-13-28(25,26)15-10-6-3-7-11-15/h2-11,16-18H,12-13H2,1H3
InChIKey XJCNUIWZWCPKGW-UHFFFAOYSA-N
Mol Weight 400.45 g/mol
Molecular Formula C20H20N2O5S
Exact Mass 400.109293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BPxUzx7EnWP
Name 3-(Phenylsulfonylethyl)-4-phenyl-7-methyl-3,7-diaza-2-oxabicyclo[3.3.0]octane-6,8-dione
Alternate Name(s) 5-Methyl-3-phenyl-2-[2-(phenylsulfonyl)ethyl]dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20N2O5S
InChI InChI=1S/C20H20N2O5S/c1-21-19(23)16-17(14-8-4-2-5-9-14)22(27-18(16)20(21)24)12-13-28(25,26)15-10-6-3-7-11-15/h2-11,16-18H,12-13H2,1H3
InChIKey XJCNUIWZWCPKGW-UHFFFAOYSA-N
Molecular Weight 400.449 g/mol
SMILES C12C(C(=O)N(C2=O)C)C(c2ccccc2)N(O1)CCS(=O)(=O)c1ccccc1
SPLASH splash10-0006-9130300000-1bd393b6909b71f4347b
Source of Spectrum F-47-4492-24
Wiley ID 1369298