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2-Octyl-6,7-dioctylamino-1H-benzo[de]isoquinoline-1,3(2H)-dione
SpectraBase Compound ID 84jOg4zoXSQ
InChI InChI=1S/C36H57N3O2/c1-4-7-10-13-16-19-26-37-31-24-22-29-33-30(36(41)39(35(29)40)28-21-18-15-12-9-6-3)23-25-32(34(31)33)38-27-20-17-14-11-8-5-2/h22-25,37-38H,4-21,26-28H2,1-3H3
InChIKey QKJLKQZWAPVWSA-UHFFFAOYSA-N
Mol Weight 563.9 g/mol
Molecular Formula C36H57N3O2
Exact Mass 563.445078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4xvOGnQ2BIY
Name 2-Octyl-6,7-dioctylamino-1H-benzo[de]isoquinoline-1,3(2H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H57N3O2
InChI InChI=1S/C36H57N3O2/c1-4-7-10-13-16-19-26-37-31-24-22-29-33-30(36(41)39(35(29)40)28-21-18-15-12-9-6-3)23-25-32(34(31)33)38-27-20-17-14-11-8-5-2/h22-25,37-38H,4-21,26-28H2,1-3H3
InChIKey QKJLKQZWAPVWSA-UHFFFAOYSA-N
Molecular Weight 563.871 g/mol
SMILES N(c1ccc2c3c1c(ccc3C(N(C2=O)CCCCCCCC)=O)NCCCCCCCC)CCCCCCCC
SPLASH splash10-0bt9-7300090000-4f9787275ce505e8e7b7
Source of Spectrum O1-36-1674-5
Synonyms 2-Octyl-6,7-bis(octylamino)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Wiley ID 819891