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1,10,11-Triphenyl-13-thia-11-azatetracyclo[8.2.1.0(2,9),0(3,8)]trideca-3,5,7-trien-12,13-dione
SpectraBase Compound ID 2SGQwpA3T1U
InChI InChI=1S/C29H21NO2S/c31-27-28(20-12-4-1-5-13-20)25-23-18-10-11-19-24(23)26(25)29(33(28)32,21-14-6-2-7-15-21)30(27)22-16-8-3-9-17-22/h1-19,25-26H/t25?,26?,28-,29+,33?/m0/s1
InChIKey CVWKTIAJJODRHS-KGIMMKDRSA-N
Mol Weight 447.55 g/mol
Molecular Formula C29H21NO2S
Exact Mass 447.1293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Csy0Nqoq1X
Name 1,10,11-Triphenyl-13-thia-11-azatetracyclo[8.2.1.0(2,9),0(3,8)]trideca-3,5,7-trien-12,13-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H21NO2S
InChI InChI=1S/C29H21NO2S/c31-27-28(20-12-4-1-5-13-20)25-23-18-10-11-19-24(23)26(25)29(33(28)32,21-14-6-2-7-15-21)30(27)22-16-8-3-9-17-22/h1-19,25-26H/t25?,26?,28-,29+,33?/m0/s1
InChIKey CVWKTIAJJODRHS-KGIMMKDRSA-N
Molecular Weight 447.552 g/mol
SMILES [C@@]12([S@]([C@](c3ccccc3)(C3C1c1c3cccc1)N(C2=O)c1ccccc1)=O)c1ccccc1
SPLASH splash10-001i-0902000000-cbaeeeb8915c1df79e40
Source of Spectrum KC-1993-1058-32
Synonyms 1,10,11-Triphenyl-13-thia-11-azatetracyclo[8.2.1.0(2,9),0(3,8)]trideca-3,5,7-trien-12-one 1,10,11-triphenyl-13-thia-11-azatetracyclo[8.2.1.0(2,9).0(3,8)]trideca-3,5,7-trien-12-one 13-oxide
Wiley ID 778000