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3-Acetyl-1-[[anilino(oxo)methyl]amino]-2-hydroxy-5-methyl-2-(trifluoromethyl)-3H-pyrrole-4-carboxylic acid ethyl ester
SpectraBase Compound ID 3ZpDaquTmyc
InChI InChI=1S/C18H20F3N3O5/c1-4-29-15(26)13-10(2)24(17(28,18(19,20)21)14(13)11(3)25)23-16(27)22-12-8-6-5-7-9-12/h5-9,14,28H,4H2,1-3H3,(H2,22,23,27)
InChIKey JXUYJHILHFWBAE-UHFFFAOYSA-N
Mol Weight 415.37 g/mol
Molecular Formula C18H20F3N3O5
Exact Mass 415.135505 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7T0FfZhYv58
Name 3-Acetyl-1-[[anilino(oxo)methyl]amino]-2-hydroxy-5-methyl-2-(trifluoromethyl)-3H-pyrrole-4-carboxylic acid ethyl ester
Alternate Name(s) 4-Acetyl-5-hydroxy-2-methyl-1-(phenylcarbamoylamino)-5-(trifluoromethyl)-2-pyrroline-3-carboxylic acid ethyl ester Ethyl 3-acetyl-2-hydroxy-5-methyl-1-(phenylcarbamoylamino)-2-(trifluoromethyl)-3H-pyrrole-4-carboxylate Ethyl 3-ethanoyl-5-methyl-2-oxidanyl-1-(phenylcarbamoylamino)-2-(trifluoromethyl)-3H-pyrrole-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20F3N3O5
InChI InChI=1S/C18H20F3N3O5/c1-4-29-15(26)13-10(2)24(17(28,18(19,20)21)14(13)11(3)25)23-16(27)22-12-8-6-5-7-9-12/h5-9,14,28H,4H2,1-3H3,(H2,22,23,27)
InChIKey JXUYJHILHFWBAE-UHFFFAOYSA-N
Molecular Weight 415.369 g/mol
SMILES N(N1C(C(C(=C1C)C(=O)OCC)C(=O)C)(C(F)(F)F)O)C(Nc1ccccc1)=O
SPLASH splash10-0udi-0009200000-53134e26b82751b5d5e9
Source of Spectrum SO-0-1840-4
Wiley ID 878710