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2,2'-[(Methylsulfonimidoyl)bis(1,4-phenylene)]bis(isoindoline-1,3-dione)
SpectraBase Compound ID 9bC0tQLvket
InChI InChI=1S/C29H19N3O5S/c1-30-38(37,20-14-10-18(11-15-20)31-26(33)22-6-2-3-7-23(22)27(31)34)21-16-12-19(13-17-21)32-28(35)24-8-4-5-9-25(24)29(32)36/h2-17H,1H3
InChIKey ZIHBTKWUPASLRS-UHFFFAOYSA-N
Mol Weight 521.55 g/mol
Molecular Formula C29H19N3O5S
Exact Mass 521.104542 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BkAsfpk43AC
Name 2,2'-[(Methylsulfonimidoyl)bis(1,4-phenylene)]bis(isoindoline-1,3-dione)
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 521.104541893 u
Formula C29H19N3O5S
InChI InChI=1S/C29H19N3O5S/c1-30-38(37,20-14-10-18(11-15-20)31-26(33)22-6-2-3-7-23(22)27(31)34)21-16-12-19(13-17-21)32-28(35)24-8-4-5-9-25(24)29(32)36/h2-17H,1H3
InChIKey ZIHBTKWUPASLRS-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201903289
Molecular Weight 521.547 g/mol
Quality 105
Reported Formula C29H19O5N3S
SMILES C1=CC(=CC=C1N1C(C2=C(C1=O)C=CC=C2)=O)S(C1=CC=C(C=C1)N1C(=O)C2=C(C1=O)C=CC=C2)(=NC)=O
SPLASH splash10-0002-9000000000-9a3b2c2b61cc19cabf8c
Source of Spectrum QE-25-SM5-5 (DOI: 10.1002/chem.201903289)
Wiley ID 1893906