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2-Octyl-6-octylamino-7-chloro-1H-benzo[de]isoquinoline-1,3(2H)-dione

View entire compound with spectra: 1 MS (GC)

2-Octyl-6-octylamino-7-chloro-1H-benzo[de]isoquinoline-1,3(2H)-dione
SpectraBase Compound ID J7LbM1lREgo
InChI InChI=1S/C28H39ClN2O2/c1-3-5-7-9-11-13-19-30-24-18-16-22-25-21(15-17-23(29)26(24)25)27(32)31(28(22)33)20-14-12-10-8-6-4-2/h15-18,30H,3-14,19-20H2,1-2H3
InChIKey SSCYDECJGHILSJ-UHFFFAOYSA-N
Mol Weight 471.1 g/mol
Molecular Formula C28H39ClN2O2
Exact Mass 470.270006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GWvABC9Kbrc
Name 2-Octyl-6-octylamino-7-chloro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H39ClN2O2
InChI InChI=1S/C28H39ClN2O2/c1-3-5-7-9-11-13-19-30-24-18-16-22-25-21(15-17-23(29)26(24)25)27(32)31(28(22)33)20-14-12-10-8-6-4-2/h15-18,30H,3-14,19-20H2,1-2H3
InChIKey SSCYDECJGHILSJ-UHFFFAOYSA-N
Molecular Weight 471.085 g/mol
SMILES N(c1ccc2C(N(C(c3ccc(c1c23)Cl)=O)CCCCCCCC)=O)CCCCCCCC
SPLASH splash10-05fr-2054900000-ccc072ec1cb4c26c8239
Source of Spectrum O1-36-1673-4
Synonyms 6-Chloro-2-octyl-7-(octylamino)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Wiley ID 819893