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3-[(2,4-diketo-6-methyl-1H-pyrimidin-5-yl)sulfonylamino]benzoic acid
SpectraBase Compound ID E59dGjb5HY6
InChI InChI=1S/C12H11N3O6S/c1-6-9(10(16)14-12(19)13-6)22(20,21)15-8-4-2-3-7(5-8)11(17)18/h2-5,15H,1H3,(H,17,18)(H2,13,14,16,19)
InChIKey BMFHDLCYANDJQQ-UHFFFAOYSA-N
Mol Weight 325.29 g/mol
Molecular Formula C12H11N3O6S
Exact Mass 325.036856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2MezQ5TNf2p
Name 3-[(2,4-diketo-6-methyl-1H-pyrimidin-5-yl)sulfonylamino]benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11N3O6S
InChI InChI=1S/C12H11N3O6S/c1-6-9(10(16)14-12(19)13-6)22(20,21)15-8-4-2-3-7(5-8)11(17)18/h2-5,15H,1H3,(H,17,18)(H2,13,14,16,19)
InChIKey BMFHDLCYANDJQQ-UHFFFAOYSA-N
Molecular Weight 325.295 g/mol
SMILES OC(c1cc(NS(C2=C(NC(=O)NC2=O)C)(=O)=O)ccc1)=O
SPLASH splash10-002r-7910000000-7183f5185ae5d8627296
Synonyms 3-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]benzoic acid 3-[[6-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]sulfonylamino]benzoic acid Benzoic acid, 3-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidine-5-sulfonylamino)-
Wiley ID 1441046