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1-(carbamoylamino)-2-hydroxy-5-methyl-2-(trifluoromethyl)-3-(2,2,2-trifluoro-1-oxoethyl)-3H-pyrrole-4-carboxylic acid methyl ester

View entire compound with spectra: 1 MS (GC)

1-(carbamoylamino)-2-hydroxy-5-methyl-2-(trifluoromethyl)-3-(2,2,2-trifluoro-1-oxoethyl)-3H-pyrrole-4-carboxylic acid methyl ester
SpectraBase Compound ID JjqV0XG2OK4
InChI InChI=1S/C11H11F6N3O5/c1-3-4(7(22)25-2)5(6(21)10(12,13)14)9(24,11(15,16)17)20(3)19-8(18)23/h5,24H,1-2H3,(H3,18,19,23)
InChIKey QUTNIWGNXOMWFA-UHFFFAOYSA-N
Mol Weight 379.22 g/mol
Molecular Formula C11H11F6N3O5
Exact Mass 379.060289 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4uCaZZynWR6
Name 1-(carbamoylamino)-2-hydroxy-5-methyl-2-(trifluoromethyl)-3-(2,2,2-trifluoro-1-oxoethyl)-3H-pyrrole-4-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11F6N3O5
InChI InChI=1S/C11H11F6N3O5/c1-3-4(7(22)25-2)5(6(21)10(12,13)14)9(24,11(15,16)17)20(3)19-8(18)23/h5,24H,1-2H3,(H3,18,19,23)
InChIKey QUTNIWGNXOMWFA-UHFFFAOYSA-N
Molecular Weight 379.215 g/mol
SMILES N(N1C(C(C(=C1C)C(=O)OC)C(C(F)(F)F)=O)(C(F)(F)F)O)C(=O)N
SPLASH splash10-03di-0092000000-9777946a40a7aefe5505
Source of Spectrum SO-0-1841-4
Synonyms 5-Hydroxy-2-methyl-4-(2,2,2-trifluoroacetyl)-5-(trifluoromethyl)-1-ureido-2-pyrroline-3-carboxylic acid methyl ester Methyl 1-(aminocarbonylamino)-5-methyl-2-oxidanyl-2-(trifluoromethyl)-3-[2,2,2-tris(fluoranyl)ethanoyl]-3H-pyrrole-4-carboxylate Methyl 1-(carbamoylamino)-2-hydroxy-5-methyl-3-(2,2,2-trifluoroacetyl)-2-(trifluoromethyl)-3H-pyrrole-4-carboxylate Methyl 2-hydroxy-5-methyl-3-(2,2,2-trifluoroacetyl)-2-(trifluoromethyl)-1-ureido-3H-pyrrole-4-carboxylate
Wiley ID 878708