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1-(carbamoylamino)-2-hydroxy-5-methyl-2-(trifluoromethyl)-3H-pyrrole-3,4-dicarboxylic acid O3-ethyl ester O4-methyl ester
SpectraBase Compound ID EPFxTGpRKPv
InChI InChI=1S/C12H16F3N3O6/c1-4-24-9(20)7-6(8(19)23-3)5(2)18(17-10(16)21)11(7,22)12(13,14)15/h7,22H,4H2,1-3H3,(H3,16,17,21)
InChIKey LEJNSQNXAFIDNV-UHFFFAOYSA-N
Mol Weight 355.27 g/mol
Molecular Formula C12H16F3N3O6
Exact Mass 355.09912 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID eJSXXvOzo
Name 1-(carbamoylamino)-2-hydroxy-5-methyl-2-(trifluoromethyl)-3H-pyrrole-3,4-dicarboxylic acid O3-ethyl ester O4-methyl ester
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Formula C12H16F3N3O6
InChI InChI=1S/C12H16F3N3O6/c1-4-24-9(20)7-6(8(19)23-3)5(2)18(17-10(16)21)11(7,22)12(13,14)15/h7,22H,4H2,1-3H3,(H3,16,17,21)
InChIKey LEJNSQNXAFIDNV-UHFFFAOYSA-N
Molecular Weight 355.270 g/mol
SMILES N(N1C(C(C(=C1C)C(=O)OC)C(=O)OCC)(C(F)(F)F)O)C(=O)N
SPLASH splash10-06si-0093000000-364e2a7c4fea00eda405
Source of Spectrum SO-0-1841-4
Synonyms 2-Hydroxy-5-methyl-2-(trifluoromethyl)-1-ureido-2-pyrroline-3,4-dicarboxylic acid O3-ethyl ester O4-methyl ester 3-O-ethyl 4-O-methyl 1-(carbamoylamino)-2-hydroxy-5-methyl-2-(trifluoromethyl)-3H-pyrrole-3,4-dicarboxylate O3-ethyl O4-methyl 1-(aminocarbonylamino)-5-methyl-2-oxidanyl-2-(trifluoromethyl)-3H-pyrrole-3,4-dicarboxylate O3-ethyl O4-methyl 2-hydroxy-5-methyl-2-(trifluoromethyl)-1-ureido-3H-pyrrole-3,4-dicarboxylate
Wiley ID 878704