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2-Amino-5-anilino-3,6-diketo-cyclohexa-1,4-diene-1-carboxylic acid trideuteriomethyl ester
SpectraBase Compound ID KZDRIKjvFhk
InChI InChI=1S/C14H12N2O4/c1-20-14(19)11-12(15)10(17)7-9(13(11)18)16-8-5-3-2-4-6-8/h2-7,16H,15H2,1H3/i1D3
InChIKey OIYRHOWUZBEHRG-FIBGUPNXSA-N
Mol Weight 275.28 g/mol
Molecular Formula C14H92D3N2O4
Exact Mass 275.098537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IVPsDeh2n6f
Name 2-Amino-5-anilino-3,6-diketo-cyclohexa-1,4-diene-1-carboxylic acid trideuteriomethyl ester
CAS Registry Number 99336-56-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H9D3N2O4
InChI InChI=1S/C14H12N2O4/c1-20-14(19)11-12(15)10(17)7-9(13(11)18)16-8-5-3-2-4-6-8/h2-7,16H,15H2,1H3/i1D3
InChIKey OIYRHOWUZBEHRG-FIBGUPNXSA-N
Molecular Weight 275.278 g/mol
SMILES N(C=1C(C(=C(C(C1)=O)N)C(=O)OC([2D])([2D])[2D])=O)c1ccccc1
SPLASH splash10-002f-0490000000-e356406d460051ca2695
Source of Spectrum Y-22-698-3
Synonyms 2-Amino-5-anilino-3,6-dioxo-1-cyclohexa-1,4-dienecarboxylic acid trideuteriomethyl ester Trideuteriomethyl 2-amino-5-anilino-3,6-dioxo-cyclohexa-1,4-diene-1-carboxylate Trideuteriomethyl 2-azanyl-3,6-bis(oxidanylidene)-5-phenylazanyl-cyclohexa-1,4-diene-1-carboxylate
Wiley ID 1275978