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2,5-Dianilino-3,6-diketo-cyclohexa-1,4-diene-1-carboxylic acid trideuteriomethyl ester
SpectraBase Compound ID 2G9afk3OdS
InChI InChI=1S/C20H16N2O4/c1-26-20(25)17-18(22-14-10-6-3-7-11-14)16(23)12-15(19(17)24)21-13-8-4-2-5-9-13/h2-12,21-22H,1H3/i1D3
InChIKey GQHLAIKRXYVUTH-FIBGUPNXSA-N
Mol Weight 351.38 g/mol
Molecular Formula C20H132D3N2O4
Exact Mass 351.129837 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F0bPq0rWGth
Name 2,5-Dianilino-3,6-diketo-cyclohexa-1,4-diene-1-carboxylic acid trideuteriomethyl ester
CAS Registry Number 101130-37-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H13D3N2O4
InChI InChI=1S/C20H16N2O4/c1-26-20(25)17-18(22-14-10-6-3-7-11-14)16(23)12-15(19(17)24)21-13-8-4-2-5-9-13/h2-12,21-22H,1H3/i1D3
InChIKey GQHLAIKRXYVUTH-FIBGUPNXSA-N
Molecular Weight 351.376 g/mol
SMILES N(C=1C(C(=C(C(C1)=O)Nc1ccccc1)C(=O)OC([2D])([2D])[2D])=O)c1ccccc1
SPLASH splash10-00ko-0977000000-5a848999d42cc181377e
Source of Spectrum Y-22-698-2
Synonyms 2,5-Dianilino-3,6-dioxo-1-cyclohexa-1,4-dienecarboxylic acid trideuteriomethyl ester Trideuteriomethyl 2,5-dianilino-3,6-dioxo-cyclohexa-1,4-diene-1-carboxylate Trideuteriomethyl 3,6-bis(oxidanylidene)-2,5-bis(phenylazanyl)cyclohexa-1,4-diene-1-carboxylate
Wiley ID 1340663