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

*Links on SpectraBase are not permalinks.

syn-5,8,17,20-Tetraoxo-4,9,16,21-tetraphenyl-5,6,7,8,17,18,19,20-octahydro[2.2](6,9)benzo[g]phthalazinophane

View entire compound with spectra: 1 MS (GC)

syn-5,8,17,20-Tetraoxo-4,9,16,21-tetraphenyl-5,6,7,8,17,18,19,20-octahydro[2.2](6,9)benzo[g]phthalazinophane
SpectraBase Compound ID EOHNriiTbhA
InChI InChI=1S/C52H36N4O4/c57-49-45-41(29-13-5-1-6-14-29)37-33-21-22-34(38(37)42(30-15-7-2-8-16-30)46(45)50(58)54-53-49)27-28-36-24-23-35(26-25-33)39-40(36)44(32-19-11-4-12-20-32)48-47(51(59)55-56-52(48)60)43(39)31-17-9-3-10-18-31/h1-24H,25-28H2,(H,53,57)(H,54,58)(H,55,59)(H,56,60)
InChIKey BCTGXTMTUDQBJX-UHFFFAOYSA-N
Mol Weight 780.9 g/mol
Molecular Formula C52H36N4O4
Exact Mass 780.273656 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 cG3qZ1J5kr
Name syn-5,8,17,20-Tetraoxo-4,9,16,21-tetraphenyl-5,6,7,8,17,18,19,20-octahydro[2.2](6,9)benzo[g]phthalazinophane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C52H36N4O4
InChI InChI=1S/C52H36N4O4/c57-49-45-41(29-13-5-1-6-14-29)37-33-21-22-34(38(37)42(30-15-7-2-8-16-30)46(45)50(58)54-53-49)27-28-36-24-23-35(26-25-33)39-40(36)44(32-19-11-4-12-20-32)48-47(51(59)55-56-52(48)60)43(39)31-17-9-3-10-18-31/h1-24H,25-28H2,(H,53,57)(H,54,58)(H,55,59)(H,56,60)
InChIKey BCTGXTMTUDQBJX-UHFFFAOYSA-N
Molecular Weight 780.884 g/mol
SMILES N1NC(c2c(c(c3c4CCc5ccc(c6c5c(c5c(C(NNC5=O)=O)c6-c5ccccc5)-c5ccccc5)CCc(c3c2-c2ccccc2)cc4)-c2ccccc2)C1=O)=O
SPLASH splash10-002f-7228026900-9b15a68fdc0d2ed1d533
Source of Spectrum KC-1-759-5
Wiley ID 1577676