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1,10,13-TRIPHENYL-12-OXA-11-THIA-13-AZATETRACYClO-[8.2.2.0(2,9).0(3,8)]-TETRADECA-3,5,7-TRIEN-12-ONE
SpectraBase Compound ID IjAaXOuuSdJ
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(32-33-28,21-14-6-2-7-15-21)30(27)22-16-8-3-9-17-22/h1-19,25-26H
InChIKey KVSJVROAXMHDPM-UHFFFAOYSA-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 6qBX81m1dfP
Name 1,10,13-Triphenyl-12-oxa-11-thia-13-azatetracyclo[8.2.1.0(2,9),0(3,8)]trideca-3,5,7-trien-14-one
Alternate Name(s) 1,10,13-triphenyl-12-oxa-11-thia-13-azatetracyclo[8.2.2.0(2,9).0(3,8)]tetradeca-3,5,7-trien-14-one
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(32-33-28,21-14-6-2-7-15-21)30(27)22-16-8-3-9-17-22/h1-19,25-26H
InChIKey KVSJVROAXMHDPM-UHFFFAOYSA-N
Molecular Weight 447.552 g/mol
SMILES C12(C(N(c3ccccc3)C(OS1)(c1ccccc1)C1C2c2c1cccc2)=O)c1ccccc1
SPLASH splash10-001j-0923100000-defd236ef0b3cdf59505
Source of Spectrum KC-1993-1059-36
Wiley ID 777998