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

*Links on SpectraBase are not permalinks.
1-(1'-Hexylheptyl)-8-[2"-hexyl-2"-(hydroxymethyl)octyl]-1H-indolo[5',4',3' : 10,5,6]anthra[2,1,9-def]isoquinoline-2,7,9 (8H)-trione
SpectraBase Compound ID AIU6ouArmKA
InChI InChI=1S/C51H66N2O4/c1-5-9-13-17-21-33-51(34-54,32-20-16-12-8-4)53-49(56)40-27-24-36-38-26-29-42-47-43(52(48(42)55)35(22-18-14-10-6-2)23-19-15-11-7-3)31-30-39(45(38)47)37-25-28-41(50(53)57)46(40)44(36)37/h24-31,35,54H,5-23,32-34H2,1-4H3
InChIKey SOSXDSWARUTLRK-UHFFFAOYSA-N
Mol Weight 771.1 g/mol
Molecular Formula C51H66N2O4
Exact Mass 770.502259 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 9euCZ6IaOmY
Name 1-(1'-Hexylheptyl)-8-[2"-hexyl-2"-(hydroxymethyl)octyl]-1H-indolo[5',4',3' : 10,5,6]anthra[2,1,9-def]isoquinoline-2,7,9 (8H)-trione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C51H66N2O4
InChI InChI=1S/C51H66N2O4/c1-5-9-13-17-21-33-51(34-54,32-20-16-12-8-4)53-49(56)40-27-24-36-38-26-29-42-47-43(52(48(42)55)35(22-18-14-10-6-2)23-19-15-11-7-3)31-30-39(45(38)47)37-25-28-41(50(53)57)46(40)44(36)37/h24-31,35,54H,5-23,32-34H2,1-4H3
InChIKey SOSXDSWARUTLRK-UHFFFAOYSA-N
Molecular Weight 771.099 g/mol
SMILES OCC(N1C(c2ccc3c4c2c(C1=O)ccc4c1c2c4c(C(=O)N(c4cc1)C(CCCCCC)CCCCCC)ccc32)=O)(CCCCCCC)CCCCCC
SPLASH splash10-00di-0002020900-7e02e9cfac9c029ddc02
Source of Spectrum H-2005-4320-4
Wiley ID 1587819