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1,3,6-triphenyl-4,4a,7a,8-tetrahydrothieno[3,4-f]isoindole-5,7-dione
SpectraBase Compound ID H2QWiv1kJA0
InChI InChI=1S/C28H21NO2S/c30-27-23-16-21-22(17-24(23)28(31)29(27)20-14-8-3-9-15-20)26(19-12-6-2-7-13-19)32-25(21)18-10-4-1-5-11-18/h1-15,23-24H,16-17H2
InChIKey WNDNWNBMQLURNH-UHFFFAOYSA-N
Mol Weight 435.54 g/mol
Molecular Formula C28H21NO2S
Exact Mass 435.1293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID liwra5GY4
Name 1,3,6-triphenyl-4,4a,7a,8-tetrahydrothieno[3,4-f]isoindole-5,7-dione
Alternate Name(s) 1,3,6-triphenyl-4,4a,7a,8-tetrahydrothien[3,4-f]isoindole-5,7-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H21NO2S
InChI InChI=1S/C28H21NO2S/c30-27-23-16-21-22(17-24(23)28(31)29(27)20-14-8-3-9-15-20)26(19-12-6-2-7-13-19)32-25(21)18-10-4-1-5-11-18/h1-15,23-24H,16-17H2
InChIKey WNDNWNBMQLURNH-UHFFFAOYSA-N
Molecular Weight 435.541 g/mol
SMILES C1(N(C(C2Cc3c(CC12)c(sc3-c1ccccc1)-c1ccccc1)=O)c1ccccc1)=O
SPLASH splash10-000i-0030900000-b17a8ae28f1f85ca5dc3
Source of Spectrum F-67-9275-8
Wiley ID 1571423