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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-one
SpectraBase Compound ID T3EqhjQ8x9
InChI InChI=1S/C29H21NOS/c31-27-28(20-12-4-1-5-13-20)25-23-18-10-11-19-24(23)26(25)29(32-28,21-14-6-2-7-15-21)30(27)22-16-8-3-9-17-22/h1-19,25-26H/t25?,26-,28+,29-/m0/s1
InChIKey PWQXHKQXXYZNRC-KLIKIDEPSA-N
Mol Weight 431.55 g/mol
Molecular Formula C29H21NOS
Exact Mass 431.134385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzLM3cvGIi0
Name 1,10,11-Triphenyl-13-thia-11-azatetracyclo[8.2.1.0(2,9),0(3,8)]trideca-3,5,7-trien-12-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H21NOS
InChI InChI=1S/C29H21NOS/c31-27-28(20-12-4-1-5-13-20)25-23-18-10-11-19-24(23)26(25)29(32-28,21-14-6-2-7-15-21)30(27)22-16-8-3-9-17-22/h1-19,25-26H/t25?,26-,28+,29-/m0/s1
InChIKey PWQXHKQXXYZNRC-KLIKIDEPSA-N
Molecular Weight 431.553 g/mol
SMILES [C@]12(N(C(=O)[C@@](S2)(c2ccccc2)C2[C@@]1(c1c2cccc1)[H])c1ccccc1)c1ccccc1
SPLASH splash10-03k9-0709000000-0aa538731d67c8b805f8
Source of Spectrum KC-1993-1057-10
Wiley ID 778010