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2-(6-oxo-1,3,5,7-tetraphenyl-heptyl)isoindoline-1,3-dione
SpectraBase Compound ID BsA0nD7LtMT
InChI InChI=1S/C39H33NO3/c41-37(25-28-15-5-1-6-16-28)35(30-19-9-3-10-20-30)26-32(29-17-7-2-8-18-29)27-36(31-21-11-4-12-22-31)40-38(42)33-23-13-14-24-34(33)39(40)43/h1-24,32,35-36H,25-27H2
InChIKey DQZFWXWAYFBENB-UHFFFAOYSA-N
Mol Weight 563.7 g/mol
Molecular Formula C39H33NO3
Exact Mass 563.246044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ErWoqdT1jGr
Name 2-(6-oxo-1,3,5,7-tetraphenyl-heptyl)isoindoline-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H33NO3
InChI InChI=1S/C39H33NO3/c41-37(25-28-15-5-1-6-16-28)35(30-19-9-3-10-20-30)26-32(29-17-7-2-8-18-29)27-36(31-21-11-4-12-22-31)40-38(42)33-23-13-14-24-34(33)39(40)43/h1-24,32,35-36H,25-27H2
InChIKey DQZFWXWAYFBENB-UHFFFAOYSA-N
Instrument Name Agilent Model 7820A-5977B
Ionization Type EI
Literature Reference DOI 10.1002/cssc.202102317
Molecular Weight 563.697 g/mol
SMILES C(CC(C(Cc1ccccc1)=O)c1ccccc1)(c1ccccc1)CC(N1C(c2ccccc2C1=O)=O)c1ccccc1
SPLASH splash10-0a4r-3930000000-2626f86fce9b81a34177
Source of Spectrum CSC-15-SM55-Figure S48-b
Wiley ID 1873436