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

*Links on SpectraBase are not permalinks.
N'-(1-Octylnonyl)-N-(2-(1-pentylhexyl)-3-pentyloctyl)perylene-3,4:9,10-bis(dicarboximide)
SpectraBase Compound ID HNG0GSe4lvO
InChI InChI=1S/C65H92N2O4/c1-7-13-19-21-23-29-35-48(36-30-24-22-20-14-8-2)67-64(70)55-43-39-51-49-37-41-53-60-54(42-38-50(58(49)60)52-40-44-56(65(67)71)61(55)59(51)52)63(69)66(62(53)68)45-57(46(31-25-15-9-3)32-26-16-10-4)47(33-27-17-11-5)34-28-18-12-6/h37-44,46-48,57H,7-36,45H2,1-6H3
InChIKey FUPUMHCMGRBANW-UHFFFAOYSA-N
Mol Weight 965.5 g/mol
Molecular Formula C65H92N2O4
Exact Mass 964.705709 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 CzOnKi1s5yG
Name N'-(1-Octylnonyl)-N-(2-(1-pentylhexyl)-3-pentyloctyl)perylene-3,4:9,10-bis(dicarboximide)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C65H92N2O4
InChI InChI=1S/C65H92N2O4/c1-7-13-19-21-23-29-35-48(36-30-24-22-20-14-8-2)67-64(70)55-43-39-51-49-37-41-53-60-54(42-38-50(58(49)60)52-40-44-56(65(67)71)61(55)59(51)52)63(69)66(62(53)68)45-57(46(31-25-15-9-3)32-26-16-10-4)47(33-27-17-11-5)34-28-18-12-6/h37-44,46-48,57H,7-36,45H2,1-6H3
InChIKey FUPUMHCMGRBANW-UHFFFAOYSA-N
Molecular Weight 965.461 g/mol
SMILES C1(N(C(c2ccc3c4ccc5C(N(C(c6ccc(c7ccc1c2c37)c4c56)=O)C(CCCCCCCC)CCCCCCCC)=O)=O)CC(C(CCCCC)CCCCC)C(CCCCC)CCCCC)=O
SPLASH splash10-016u-9005108038-da865b1eb4b9ea6acec7
Source of Spectrum F-56-5440-5
Synonyms 2-(1-Octyl-nonyl)-9-[3-pentyl-2-(1-pentyl-hexyl)-octyl]-anthra[2,1,9-def;6,5,10-d'e'f']diisoquinoline-1,3,8,10-tetraone
Wiley ID 857812