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3-(trifluoromethyl)benzyl 1H-pyrrole-2-carboxylate
SpectraBase Compound ID 8qojuniN6Wb
InChI InChI=1S/C13H10F3NO2/c14-13(15,16)10-4-1-3-9(7-10)8-19-12(18)11-5-2-6-17-11/h1-7,17H,8H2
InChIKey RKQSCABWZBREMS-UHFFFAOYSA-N
Mol Weight 269.22 g/mol
Molecular Formula C13H10F3NO2
Exact Mass 269.066363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BUWHcxw0K5X
Name 3-(trifluoromethyl)benzyl 1H-pyrrole-2-carboxylate
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10F3NO2
InChI InChI=1S/C13H10F3NO2/c14-13(15,16)10-4-1-3-9(7-10)8-19-12(18)11-5-2-6-17-11/h1-7,17H,8H2
InChIKey RKQSCABWZBREMS-UHFFFAOYSA-N
Instrument Name Agilent 7250
Ionization Type EI
Literature Reference DOI 10.1016/j.jscs.2023.101600
Molecular Weight 269.223 g/mol
Quality 330
Reported Formula C13H10F3NO2
SMILES N1C(=CC=C1)C(OCC1=CC(=CC=C1)C(F)(F)F)=O
SPLASH splash10-0aou-6940000000-24af9e8e739e1aeafd56
Source of Spectrum SCS-27-SM63-3j (DOI: 10.1016/j.jscs.2023.101600)
Thin-Layer Chromatography 0.33 (DCM/PE, 7:1)
Wiley ID 1911747