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(2,4-dioxo-1H-pteridin-3-yl) benzenesulfonate
SpectraBase Compound ID JYvKiXIuosV
InChI InChI=1S/C12H8N4O5S/c17-11-9-10(14-7-6-13-9)15-12(18)16(11)21-22(19,20)8-4-2-1-3-5-8/h1-7H,(H,14,15,18)
InChIKey FVICSAGIQWZZGN-UHFFFAOYSA-N
Mol Weight 320.28 g/mol
Molecular Formula C12H8N4O5S
Exact Mass 320.021541 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6aLoRw730GT
Name (2,4-dioxo-1H-pteridin-3-yl) benzenesulfonate
Alternate Name(s) benzenesulfonic acid (2,4-diketo-1H-pteridin-3-yl) ester benzenesulfonic acid (2,4-dioxo-1H-pteridin-3-yl) ester
CAS Registry Number 10579-74-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8N4O5S
InChI InChI=1S/C12H8N4O5S/c17-11-9-10(14-7-6-13-9)15-12(18)16(11)21-22(19,20)8-4-2-1-3-5-8/h1-7H,(H,14,15,18)
InChIKey FVICSAGIQWZZGN-UHFFFAOYSA-N
Molecular Weight 320.279 g/mol
SMILES N1c2nccnc2C(N(C1=O)OS(=O)(=O)c1ccccc1)=O
SPLASH splash10-004l-9300000000-66a99645695bb57330ea
Source of Spectrum Y-12-83-0
Wiley ID 1319676