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4-(Trifluoromethyl)-6-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzene-1,3-disulfonamide
SpectraBase Compound ID IssKztZy2Zq
InChI InChI=1S/C12H10F3N5O7S2/c13-12(14,15)5-1-6(8(29(17,26)27)2-7(5)28(16,24)25)18-3-4-9(21)19-11(23)20-10(4)22/h1-3,18H,(H2,16,24,25)(H2,17,26,27)(H2,19,20,21,22,23)
InChIKey TTWGKSBYYMBEGQ-UHFFFAOYSA-N
Mol Weight 457.36 g/mol
Molecular Formula C12H10F3N5O7S2
Exact Mass 456.997375 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H7lbitKZkax
Name 4-(Trifluoromethyl)-6-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzene-1,3-disulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10F3N5O7S2
InChI InChI=1S/C12H10F3N5O7S2/c13-12(14,15)5-1-6(8(29(17,26)27)2-7(5)28(16,24)25)18-3-4-9(21)19-11(23)20-10(4)22/h1-3,18H,(H2,16,24,25)(H2,17,26,27)(H2,19,20,21,22,23)
InChIKey TTWGKSBYYMBEGQ-UHFFFAOYSA-N
Molecular Weight 457.355 g/mol
SMILES NS(c1c(cc(c(S(N)(=O)=O)c1)NC=C1C(NC(NC1=O)=O)=O)C(F)(F)F)(=O)=O
SPLASH splash10-004i-0290000000-e399f3b48bc1d369ab5f
Source of Spectrum QA-58-535-6
Synonyms 4-(trifluoromethyl)-6-(((2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzene-1,3-disulfonamide
Wiley ID 1796575