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1H-isoindole-1,3(2H)-dione, 2-[4-methyl-3-[(2-methylpropyl)thio]-5-(phenylsulfonyl)phenyl]-
SpectraBase Compound ID 48CH7SP8V90
InChI InChI=1S/C25H23NO4S2/c1-16(2)15-31-22-13-18(26-24(27)20-11-7-8-12-21(20)25(26)28)14-23(17(22)3)32(29,30)19-9-5-4-6-10-19/h4-14,16H,15H2,1-3H3
InChIKey IXBBXSBHIPLYSH-UHFFFAOYSA-N
Mol Weight 465.58 g/mol
Molecular Formula C25H23NO4S2
Exact Mass 465.106851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2oAaNr3DCPT
Name 2-[3-(benzenesulfonyl)-4-methyl-5-(2-methylpropylsulfanyl)phenyl]isoindole-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H23NO4S2
InChI InChI=1S/C25H23NO4S2/c1-16(2)15-31-22-13-18(26-24(27)20-11-7-8-12-21(20)25(26)28)14-23(17(22)3)32(29,30)19-9-5-4-6-10-19/h4-14,16H,15H2,1-3H3
InChIKey IXBBXSBHIPLYSH-UHFFFAOYSA-N
Molecular Weight 465.582 g/mol
SMILES c1ccc(S(c2cc(N3C(c4ccccc4C3=O)=O)cc(c2C)SCC(C)C)(=O)=O)cc1
SPLASH splash10-0gdi-9843300000-a02fb68a42cf6408f199
Synonyms 2-[3-(benzenesulfonyl)-4-methyl-5-(2-methylpropylthio)phenyl]isoindole-1,3-dione 2-[3-(benzenesulfonyl)-5-isobutylsulfanyl-4-methyl-phenyl]isoindoline-1,3-dione 2-[3-besyl-5-(isobutylthio)-4-methyl-phenyl]isoindoline-1,3-quinone 2-[4-methyl-3-(2-methylpropylsulfanyl)-5-(phenylsulfonyl)phenyl]isoindole-1,3-dione
Wiley ID 1463330