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

*Links on SpectraBase are not permalinks.
(p)-N,N'-Dihexadecyl-1,12-dimethylbenzo[c]phenanthrene-5,8-diamide
SpectraBase Compound ID 3lUAZbCQSo4
InChI InChI=1S/C54H82N2O2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-39-55-53(57)48-41-45-42-49(47-38-34-36-44(4)51(47)52(45)50-43(3)35-33-37-46(48)50)54(58)56-40-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h33-38,41-42H,5-32,39-40H2,1-4H3,(H,55,57)(H,56,58)
InChIKey IMSJKEJFXFZDER-UHFFFAOYSA-N
Mol Weight 791.3 g/mol
Molecular Formula C54H82N2O2
Exact Mass 790.63763 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 IRm9qAfFZmH
Name (p)-N,N'-Dihexadecyl-1,12-dimethylbenzo[c]phenanthrene-5,8-diamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C54H82N2O2
InChI InChI=1S/C54H82N2O2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-39-55-53(57)48-41-45-42-49(47-38-34-36-44(4)51(47)52(45)50-43(3)35-33-37-46(48)50)54(58)56-40-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h33-38,41-42H,5-32,39-40H2,1-4H3,(H,55,57)(H,56,58)
InChIKey IMSJKEJFXFZDER-UHFFFAOYSA-N
Molecular Weight 791.262 g/mol
SMILES N(C(c1c2c(c3c(cc(C(=O)NCCCCCCCCCCCCCCCC)c4c3c(ccc4)C)c1)c(ccc2)C)=O)CCCCCCCCCCCCCCCC
SPLASH splash10-0006-0000020900-b53397456ab80af9f4f7
Source of Spectrum F-55-14861-(P)-5
Wiley ID 840276