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(1-methyl-2,4-dioxo-benzo[g]pteridin-3-yl) benzenesulfonate
SpectraBase Compound ID 5WJwEQGs5X4
InChI InChI=1S/C17H12N4O5S/c1-20-15-14(18-12-9-5-6-10-13(12)19-15)16(22)21(17(20)23)26-27(24,25)11-7-3-2-4-8-11/h2-10H,1H3
InChIKey FXKBJLAHSSVQGX-UHFFFAOYSA-N
Mol Weight 384.37 g/mol
Molecular Formula C17H12N4O5S
Exact Mass 384.052841 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AjFRjpwMLGz
Name (1-methyl-2,4-dioxo-benzo[g]pteridin-3-yl) benzenesulfonate
Alternate Name(s) benzenesulfonic acid (1-methyl-2,4-dioxo-3-benzo[g]pteridinyl) ester benzenesulfonic acid (2,4-diketo-1-methyl-benzo[g]pteridin-3-yl) ester (1-methyl-2,4-dioxobenzo[g]pteridin-3-yl) benzenesulfonate
CAS Registry Number 110307-56-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12N4O5S
InChI InChI=1S/C17H12N4O5S/c1-20-15-14(18-12-9-5-6-10-13(12)19-15)16(22)21(17(20)23)26-27(24,25)11-7-3-2-4-8-11/h2-10H,1H3
InChIKey FXKBJLAHSSVQGX-UHFFFAOYSA-N
Molecular Weight 384.366 g/mol
SMILES C1(N(C(c2c(N1C)nc1c(n2)cccc1)=O)OS(=O)(=O)c1ccccc1)=O
SPLASH splash10-004l-9701000000-8380f1a56a9a7307ae93
Source of Spectrum Y-24-1019-1
Wiley ID 1361317