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1-(4-nitrobenzyl)-3-pyrroline-2,5-quinone
SpectraBase Compound ID CXiskf6ejPT
InChI InChI=1S/C11H8N2O4/c14-10-5-6-11(15)12(10)7-8-1-3-9(4-2-8)13(16)17/h1-6H,7H2
InChIKey BHLDOHAOJWIJSW-UHFFFAOYSA-N
Mol Weight 232.19 g/mol
Molecular Formula C11H8N2O4
Exact Mass 232.048407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BYNAFjCiQks
Name 1-(4-nitrobenzyl)-3-pyrroline-2,5-quinone
Alternate Name(s) 1-[(4-nitrophenyl)methyl]pyrrole-2,5-dione
Comments Edited after expert review for air contamination - Original record with SpectrumID 881342 moved to the Legacy library
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8N2O4
InChI InChI=1S/C11H8N2O4/c14-10-5-6-11(15)12(10)7-8-1-3-9(4-2-8)13(16)17/h1-6H,7H2
InChIKey BHLDOHAOJWIJSW-UHFFFAOYSA-N
Molecular Weight 232.195 g/mol
SMILES C1(N(C(C=C1)=O)Cc1ccc(N(=O)=O)cc1)=O
SPLASH splash10-001i-3090000000-641d36a4d49b33d76ad3
Source of Spectrum SK-30-1386-8
Wiley ID 1820846