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3-HYDROXYALLOXAZINE, BENZENESULFONATE (ESTER)
SpectraBase Compound ID ETajDpR6xAP
InChI InChI=1S/C16H10N4O5S/c21-15-13-14(18-12-9-5-4-8-11(12)17-13)19-16(22)20(15)25-26(23,24)10-6-2-1-3-7-10/h1-9H,(H,18,19,22)
InChIKey APUCBIQGZCFSES-UHFFFAOYSA-N
Mol Weight 370.34 g/mol
Molecular Formula C16H10N4O5S
Exact Mass 370.037191 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5LsfbixLkoY
Name (2,4-dioxo-1H-benzo[g]pteridin-3-yl) benzenesulfonate
Alternate Name(s) benzenesulfonic acid (2,4-diketo-1H-benzo[g]pteridin-3-yl) ester benzenesulfonic acid (2,4-dioxo-1H-benzo[g]pteridin-3-yl) ester
CAS Registry Number 54107-98-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H10N4O5S
InChI InChI=1S/C16H10N4O5S/c21-15-13-14(18-12-9-5-4-8-11(12)17-13)19-16(22)20(15)25-26(23,24)10-6-2-1-3-7-10/h1-9H,(H,18,19,22)
InChIKey APUCBIQGZCFSES-UHFFFAOYSA-N
Molecular Weight 370.339 g/mol
SMILES N1c2c(C(N(C1=O)OS(=O)(=O)c1ccccc1)=O)nc1ccccc1n2
SPLASH splash10-002f-8920000000-c8a6319dec11bf3b3c37
Source of Spectrum Y-11-639-11
Wiley ID 1353997