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Methyl 1-tert-butyl-3(4)-phenyl-4(3)-trifluoromethyl-1H-pyrrole-2-carboxylate
SpectraBase Compound ID HPYA0Sy4Y9E
InChI InChI=1S/C17H18F3NO2/c1-16(2,3)21-10-12(17(18,19)20)13(14(21)15(22)23-4)11-8-6-5-7-9-11/h5-10H,1-4H3
InChIKey AFYQQSMFZUJGER-UHFFFAOYSA-N
Mol Weight 325.33 g/mol
Molecular Formula C17H18F3NO2
Exact Mass 325.128963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LE4rygmePuY
Name Methyl 1-tert-butyl-3(4)-phenyl-4(3)-trifluoromethyl-1H-pyrrole-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18F3NO2
InChI InChI=1S/C17H18F3NO2/c1-16(2,3)21-10-12(17(18,19)20)13(14(21)15(22)23-4)11-8-6-5-7-9-11/h5-10H,1-4H3
InChIKey AFYQQSMFZUJGER-UHFFFAOYSA-N
Molecular Weight 325.331 g/mol
SMILES c1(c(c(C(=O)OC)[n](c1)C(C)(C)C)-c1ccccc1)C(F)(F)F
SPLASH splash10-00ko-6393000000-4144e6331d9250cbb397
Source of Spectrum SO-0-288-7
Wiley ID 1544698