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2-(Dibenzylamino)-3,6-dioxocylohexa-1,4-dienecarboxylic acid
SpectraBase Compound ID FacwtfuVWA1
InChI InChI=1S/C21H17NO4/c23-17-11-12-18(24)20(19(17)21(25)26)22(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,25,26)
InChIKey HYKSCBZCMDZTKT-UHFFFAOYSA-N
Mol Weight 347.37 g/mol
Molecular Formula C21H17NO4
Exact Mass 347.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ITEDURWmpr3
Name 2-(Dibenzylamino)-3,6-dioxocylohexa-1,4-dienecarboxylic acid
Appearance Pink crystals
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17NO4
InChI InChI=1S/C21H17NO4/c23-17-11-12-18(24)20(19(17)21(25)26)22(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,25,26)
InChIKey HYKSCBZCMDZTKT-UHFFFAOYSA-N
Instrument Name Shimadzu QP-1100EX
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0007.a16
Molecular Weight 347.370 g/mol
SMILES OC(C1=C(C(C=CC1=O)=O)N(Cc1ccccc1)Cc1ccccc1)=O
SPLASH splash10-0f6x-9048000000-e6ebdf2c805a86a476c2
Source of Spectrum ARK-2006-136-5c
Wiley ID 1871133