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Methyl 1-tert-Butyl-4(3)-trifluoromethyl-3(4)-(4-methylthiophenyl)pyrrole-2-carboxylate
SpectraBase Compound ID 5Et7g7baYod
InChI InChI=1S/C18H20F3NO2S/c1-11-6-8-12(9-7-11)25-15-13(18(19,20)21)10-22(17(2,3)4)14(15)16(23)24-5/h6-10H,1-5H3
InChIKey SIBGBAHFBSSOSZ-UHFFFAOYSA-N
Mol Weight 371.42 g/mol
Molecular Formula C18H20F3NO2S
Exact Mass 371.116685 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8UvszCyocvC
Name Methyl 1-tert-Butyl-4(3)-trifluoromethyl-3(4)-(4-methylthiophenyl)pyrrole-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20F3NO2S
InChI InChI=1S/C18H20F3NO2S/c1-11-6-8-12(9-7-11)25-15-13(18(19,20)21)10-22(17(2,3)4)14(15)16(23)24-5/h6-10H,1-5H3
InChIKey SIBGBAHFBSSOSZ-UHFFFAOYSA-N
Molecular Weight 371.418 g/mol
SMILES c1([n](cc(c1Sc1ccc(cc1)C)C(F)(F)F)C(C)(C)C)C(=O)OC
SPLASH splash10-05o0-7089000000-58732ddf58933db2a933
Source of Spectrum SO-0-289-7
Wiley ID 1544832