For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
6,26-Diphenyl-3,30-dithia-13,20-dioxa-5,6,8,9,24,25,17,28-octaaza-15,18:1,32-di(ethenocyclo)tritetraconta-dodecaene
SpectraBase Compound ID DrY7osV0SUU
InChI InChI=1S/C46H36N8O2S2/c1-3-11-37(12-4-1)43-49-51-45-53(43)47-27-39-15-7-9-17-41(39)55-29-33-19-21-34(22-20-33)30-56-42-18-10-8-16-40(42)28-48-54-44(38-13-5-2-6-14-38)50-52-46(54)58-32-36-25-23-35(24-26-36)31-57-45/h1-28H,29-32H2/b47-27-,48-28+
InChIKey HPIRQVMBPIGLRY-OYMMCLMRSA-N
Mol Weight 797.0 g/mol
Molecular Formula C46H36N8O2S2
Exact Mass 796.240265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CqHDaTBvAAf
Name 6,26-Diphenyl-3,30-dithia-13,20-dioxa-5,6,8,9,24,25,17,28-octaaza-15,18:1,32-di(ethenocyclo)tritetraconta-dodecaene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H36N8O2S2
InChI InChI=1S/C46H36N8O2S2/c1-3-11-37(12-4-1)43-49-51-45-53(43)47-27-39-15-7-9-17-41(39)55-29-33-19-21-34(22-20-33)30-56-42-18-10-8-16-40(42)28-48-54-44(38-13-5-2-6-14-38)50-52-46(54)58-32-36-25-23-35(24-26-36)31-57-45/h1-28H,29-32H2/b47-27-,48-28+
InChIKey HPIRQVMBPIGLRY-OYMMCLMRSA-N
Molecular Weight 796.968 g/mol
SMILES c1([n]2c(nn1)SCc1ccc(CSc3[n](c(-c4ccccc4)nn3)\N=C\c3c(OCc4ccc(COc5c(\C=N/2)cccc5)cc4)cccc3)cc1)-c1ccccc1
SPLASH splash10-00di-0290000000-a19aa921c579d3ec48a8
Source of Spectrum Y-46-662-28
Wiley ID 1666821