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4zTo92QVBwP
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4zTo92QVBwP
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Ethyl-2,4-dimethyl-5-((trifluoromethyl)thio)-1H-pyrrole-3-carboxylate
SpectraBase Compound ID 3mej07P2iUg
InChI InChI=1S/C10H12F3NO2S/c1-4-16-9(15)7-5(2)8(14-6(7)3)17-10(11,12)13/h14H,4H2,1-3H3
InChIKey BAVWGVFJINDGAF-UHFFFAOYSA-N
Mol Weight 267.27 g/mol
Molecular Formula C10H12F3NO2S
Exact Mass 267.054084 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4zTo92QVBwP
Name Ethyl-2,4-dimethyl-5-((trifluoromethyl)thio)-1H-pyrrole-3-carboxylate
Appearance White solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 267.054084291 u
Formula C10H12F3NO2S
GC Column HP-5MS (0.25 mm x 30 m, film thickness 0.25 micrometer)
GC Oven Program Oven temp 280oC
InChI InChI=1S/C10H12F3NO2S/c1-4-16-9(15)7-5(2)8(14-6(7)3)17-10(11,12)13/h14H,4H2,1-3H3
InChIKey BAVWGVFJINDGAF-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 267.266 g/mol
Quality 178
SMILES N1C(=C(C(=C1C)C(=O)OCC)C)SC(F)(F)F
SPLASH splash10-0gb9-6920000000-d090f175793e5605720d
Source of Spectrum QE-21-SM13-13-1 (DOI: 10.1002/chem.201500957)
Thin-Layer Chromatography 0.31 (Et2O/n-pentane, 20%)
Wiley ID 1906580
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