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3-hydroxy-1-methyl-2,4(1H,3H)-quinazolinedione, benzenesulfonate(ester)
SpectraBase Compound ID EqtZQ3xAYnl
InChI InChI=1S/C15H12N2O5S/c1-16-13-10-6-5-9-12(13)14(18)17(15(16)19)22-23(20,21)11-7-3-2-4-8-11/h2-10H,1H3
InChIKey JISTURCVAVLHPK-UHFFFAOYSA-N
Mol Weight 332.33 g/mol
Molecular Formula C15H12N2O5S
Exact Mass 332.046693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8RR0kmGbewQ
Name 2,4(1H,3H)-Quinazolinedione, 1-methyl-3-[(phenylsulfonyl)oxy]-
CAS Registry Number 41120-15-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H12N2O5S
InChI InChI=1S/C15H12N2O5S/c1-16-13-10-6-5-9-12(13)14(18)17(15(16)19)22-23(20,21)11-7-3-2-4-8-11/h2-10H,1H3
InChIKey JISTURCVAVLHPK-UHFFFAOYSA-N
Molecular Weight 332.330 g/mol
SMILES C1(=O)c2c(cccc2)N(C)C(N1OS(=O)(=O)c1ccccc1)=O
SPLASH splash10-005c-7902000000-103bc705fe8b45960924
Source of Spectrum J-8-3500-1
Synonyms 1-Methyl-3-[(phenylsulfonyl)oxy]-2,4(1H,3H)-quinazolinedione (1-methyl-2,4-dioxo-quinazolin-3-yl) benzenesulfonate benzenesulfonic acid (1-methyl-2,4-dioxo-3-quinazolinyl) ester benzenesulfonic acid (2,4-diketo-1-methyl-quinazolin-3-yl) ester (1-methyl-2,4-dioxoquinazolin-3-yl) benzenesulfonate
Wiley ID 1329095