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7,9-Dimethyl-3-(ethoxycarbonyl)-[1,2,4]triazino[3,4-f]purine-4,6,8(1H,7H,9H)-trione
SpectraBase Compound ID 9psdkjHiKd1
InChI InChI=1S/C12H12N6O5/c1-4-23-10(21)5-8(19)18-6-7(13-11(18)15-14-5)16(2)12(22)17(3)9(6)20/h4H2,1-3H3,(H,13,15)
InChIKey WNGCKXJYSXWNFA-UHFFFAOYSA-N
Mol Weight 320.27 g/mol
Molecular Formula C12H12N6O5
Exact Mass 320.086918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GE2Zw4pEGJ5
Name 7,9-Dimethyl-3-(ethoxycarbonyl)-[1,2,4]triazino[3,4-f]purine-4,6,8(1H,7H,9H)-trione
Alternate Name(s) 7,9-dimethyl-4,6,8-trioxo-1H-purino[8,7-c][1,2,4]triazine-3-carboxylic acid ethyl ester ethyl 7,9-dimethyl-4,6,8-trioxo-1H-purino[8,7-c][1,2,4]triazine-3-carboxylate ethyl 7,9-dimethyl-4,6,8-tris(oxidanylidene)-1H-purino[8,7-c][1,2,4]triazine-3-carboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N6O5
InChI InChI=1S/C12H12N6O5/c1-4-23-10(21)5-8(19)18-6-7(13-11(18)15-14-5)16(2)12(22)17(3)9(6)20/h4H2,1-3H3,(H,13,15)
InChIKey WNGCKXJYSXWNFA-UHFFFAOYSA-N
Molecular Weight 320.265 g/mol
SMILES N1N=C(C([n]2c1nc1c2C(N(C(N1C)=O)C)=O)=O)C(=O)OCC
SPLASH splash10-01b9-9008000000-963af64b2c1f9c53a59c
Source of Spectrum Y-38-611-5h
Wiley ID 848351