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3-HYDROXY-2,4(1H,3H)-QUINAZOLINEDIONE, BENZENESULFONATE (ESTER)
SpectraBase Compound ID IoAqaI1DsXN
InChI InChI=1S/C14H10N2O5S/c17-13-11-8-4-5-9-12(11)15-14(18)16(13)21-22(19,20)10-6-2-1-3-7-10/h1-9H,(H,15,18)
InChIKey ZCTGEHUPKUFNOH-UHFFFAOYSA-N
Mol Weight 318.3 g/mol
Molecular Formula C14H10N2O5S
Exact Mass 318.031043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LRgbfuFosHg
Name (2,4-dioxo-1H-quinazolin-3-yl) benzenesulfonate
Alternate Name(s) benzenesulfonic acid (2,4-diketo-1H-quinazolin-3-yl) ester benzenesulfonic acid (2,4-dioxo-1H-quinazolin-3-yl) ester
CAS Registry Number 41120-14-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H10N2O5S
InChI InChI=1S/C14H10N2O5S/c17-13-11-8-4-5-9-12(11)15-14(18)16(13)21-22(19,20)10-6-2-1-3-7-10/h1-9H,(H,15,18)
InChIKey ZCTGEHUPKUFNOH-UHFFFAOYSA-N
Molecular Weight 318.303 g/mol
SMILES N1c2c(C(N(C1=O)OS(=O)(=O)c1ccccc1)=O)cccc2
SPLASH splash10-004l-8901000000-08e25825bba19b1a48c1
Source of Spectrum Y-12-83-0
Wiley ID 1318086