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endo and exo-4,8-Epimino-2,5,7-triphenyl-2,3,3a,4,8,8a-hexahydro-1H-thieno[3,4-f]isoindole-1,3-dione
SpectraBase Compound ID JzfB7axeLx1
InChI InChI=1S/C28H20N2O2S/c31-27-21-22(28(32)30(27)18-14-8-3-9-15-18)24-20-19(23(21)29-24)25(16-10-4-1-5-11-16)33-26(20)17-12-6-2-7-13-17/h1-15,21-24,29H/t21-,22+,23+,24-
InChIKey BJUCWYKDHCUWIB-NVPYSNMXSA-N
Mol Weight 448.54 g/mol
Molecular Formula C28H20N2O2S
Exact Mass 448.124549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KKjeMAYaHys
Name endo and exo-4,8-Epimino-2,5,7-triphenyl-2,3,3a,4,8,8a-hexahydro-1H-thieno[3,4-f]isoindole-1,3-dione
Alternate Name(s) 3,5,10-triphenyl-4-thia-10,13-diazatetracyclo[5.5.1.0(2,6).0(8,12)]trideca-2,5-diene-9,11-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H20N2O2S
InChI InChI=1S/C28H20N2O2S/c31-27-21-22(28(32)30(27)18-14-8-3-9-15-18)24-20-19(23(21)29-24)25(16-10-4-1-5-11-16)33-26(20)17-12-6-2-7-13-17/h1-15,21-24,29H/t21-,22+,23+,24-
InChIKey BJUCWYKDHCUWIB-NVPYSNMXSA-N
Molecular Weight 448.540 g/mol
SMILES N1[C@]2([C@@]3([C@]([C@@]1(c1c2c(sc1-c1ccccc1)-c1ccccc1)[H])(C(N(C3=O)c1ccccc1)=O)[H])[H])[H]
SPLASH splash10-00b9-0490000000-64a576036514f327b154
Source of Spectrum KC-0-3070-15
Wiley ID 782535