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Bis-(2,6-dimethyl-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-5-ylmethyl)-bis-(phenylsulfonyl)methane
SpectraBase Compound ID 2txxHzybzT9
InChI InChI=1S/C35H38N2O8S2/c1-21-15-27-29(33(40)36(3)31(27)38)17-23(21)19-35(46(42,43)25-11-7-5-8-12-25,47(44,45)26-13-9-6-10-14-26)20-24-18-30-28(16-22(24)2)32(39)37(4)34(30)41/h5-14,27-30H,15-20H2,1-4H3
InChIKey OJCSSLOBUWFRBA-UHFFFAOYSA-N
Mol Weight 678.8 g/mol
Molecular Formula C35H38N2O8S2
Exact Mass 678.206959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jll8JFwThhJ
Name Bis-(2,6-dimethyl-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-5-ylmethyl)-bis-(phenylsulfonyl)methane
Alternate Name(s) 5-[3-(2,6-dimethyl-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-5-yl)-2,2-bis(phenylsulfonyl)propyl]-2,6-dimethyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H38N2O8S2
InChI InChI=1S/C35H38N2O8S2/c1-21-15-27-29(33(40)36(3)31(27)38)17-23(21)19-35(46(42,43)25-11-7-5-8-12-25,47(44,45)26-13-9-6-10-14-26)20-24-18-30-28(16-22(24)2)32(39)37(4)34(30)41/h5-14,27-30H,15-20H2,1-4H3
InChIKey OJCSSLOBUWFRBA-UHFFFAOYSA-N
Molecular Weight 678.815 g/mol
SMILES C(S(=O)(=O)c1ccccc1)(S(=O)(=O)c1ccccc1)(CC=1CC2C(N(C)C(C2CC1C)=O)=O)CC=1CC2C(N(C)C(C2CC1C)=O)=O
SPLASH splash10-0gb9-7095000000-94fb888b795aa30f4f78
Source of Spectrum KC-57-9196-38
Wiley ID 1626352