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1-(tert-butoxycarbonylamino)-2,5-dimethyl-4-(2,2,2-trifluoroacetyl)pyrrole-3-carboxylic acid methyl ester
SpectraBase Compound ID L9YrrFK9Vqm
InChI InChI=1S/C15H19F3N2O5/c1-7-9(11(21)15(16,17)18)10(12(22)24-6)8(2)20(7)19-13(23)25-14(3,4)5/h1-6H3,(H,19,23)
InChIKey YKGBQQQNQVSTCW-UHFFFAOYSA-N
Mol Weight 364.32 g/mol
Molecular Formula C15H19F3N2O5
Exact Mass 364.124606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LPGpUVp0cne
Name 1-(tert-butoxycarbonylamino)-2,5-dimethyl-4-(2,2,2-trifluoroacetyl)pyrrole-3-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H19F3N2O5
InChI InChI=1S/C15H19F3N2O5/c1-7-9(11(21)15(16,17)18)10(12(22)24-6)8(2)20(7)19-13(23)25-14(3,4)5/h1-6H3,(H,19,23)
InChIKey YKGBQQQNQVSTCW-UHFFFAOYSA-N
Molecular Weight 364.321 g/mol
SMILES N([n]1c(c(c(c1C)C(C(F)(F)F)=O)C(=O)OC)C)C(OC(C)(C)C)=O
SPLASH splash10-056r-0079000000-93f72466a8a3470f74d4
Source of Spectrum SO-0-1843-8
Synonyms 2,5-Dimethyl-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(2,2,2-trifluoro-1-oxoethyl)-3-pyrrolecarboxylic acid methyl ester Methyl 1-(tert-butoxycarbonylamino)-2,5-dimethyl-4-(2,2,2-trifluoroacetyl)pyrrole-3-carboxylate Methyl 2,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,2,2-trifluoroacetyl)pyrrole-3-carboxylate Methyl 2,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[2,2,2-tris(fluoranyl)ethanoyl]pyrrole-3-carboxylate
Wiley ID 878689