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N,N-Diethyl-1-methyl-5-((trifluoromethyl)thio)pyrrole-2-carboxamide
SpectraBase Compound ID B8Ng0NQCkdh
InChI InChI=1S/C11H15F3N2OS/c1-4-16(5-2)10(17)8-6-7-9(15(8)3)18-11(12,13)14/h6-7H,4-5H2,1-3H3
InChIKey BRWXZFSCRPYTGO-UHFFFAOYSA-N
Mol Weight 280.31 g/mol
Molecular Formula C11H15F3N2OS
Exact Mass 280.085719 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LAEPdR1zYuP
Name N,N-Diethyl-1-methyl-5-((trifluoromethyl)thio)pyrrole-2-carboxamide
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H15F3N2OS
GC Column HP-5MS (0.25 mm x 30 m, film thickness 0.25 micrometer)
GC Oven Program Oven temp 280oC
InChI InChI=1S/C11H15F3N2OS/c1-4-16(5-2)10(17)8-6-7-9(15(8)3)18-11(12,13)14/h6-7H,4-5H2,1-3H3
InChIKey BRWXZFSCRPYTGO-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7890A Agilent 5975C VL MSD or 5975 inert MSD
Ionization Type EI
Literature Reference DOI 10.1002/chem.201500957
Molecular Weight 280.309 g/mol
Quality 101
SMILES C=1(N(C(=CC1)C(N(CC)CC)=O)C)SC(F)(F)F
SPLASH splash10-0bu0-0690000000-c8a3d0e88032b36f8a0a
Source of Spectrum QE-21-SM17-17-1 (DOI: 10.1002/chem.201500957)
Thin-Layer Chromatography 0.23 (Et2O/n-pentane, 30%)
Wiley ID 1906586