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2-Benzyl-4,7-bis(2-nitrophenyl)isoindole-1,3-dione
SpectraBase Compound ID IAAjFdZpn04
InChI InChI=1S/C27H17N3O6/c31-26-24-20(18-10-4-6-12-22(18)29(33)34)14-15-21(19-11-5-7-13-23(19)30(35)36)25(24)27(32)28(26)16-17-8-2-1-3-9-17/h1-15H,16H2
InChIKey DQFRHWBQFZQHPX-UHFFFAOYSA-N
Mol Weight 479.45 g/mol
Molecular Formula C27H17N3O6
Exact Mass 479.111735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DgkoWtgnY2E
Name 2-Benzyl-4,7-bis(2-nitrophenyl)isoindole-1,3-dione
CAS Registry Number 130999-10-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H17N3O6
InChI InChI=1S/C27H17N3O6/c31-26-24-20(18-10-4-6-12-22(18)29(33)34)14-15-21(19-11-5-7-13-23(19)30(35)36)25(24)27(32)28(26)16-17-8-2-1-3-9-17/h1-15H,16H2
InChIKey DQFRHWBQFZQHPX-UHFFFAOYSA-N
Molecular Weight 479.448 g/mol
SMILES C1(N(C(c2c(ccc(c12)-c1c(N(=O)=O)cccc1)-c1c(N(=O)=O)cccc1)=O)Cc1ccccc1)=O
SPLASH splash10-0006-9000400000-e173f0d430fbee377654
Source of Spectrum KC-1990-2477-4
Synonyms 2-Benzyl-4,7-bis(2-nitrophenyl)isoindoline-1,3-dione 2-Benzyl-4,7-bis(2-nitrophenyl)isoindoline-1,3-quinone 4,7-bis(2-nitrophenyl)-2-(phenylmethyl)isoindole-1,3-dione
Wiley ID 1395020