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Ethyl 4-(5-formyl-2-(trifluoromethyl)-1H-imidazol-1-yl)benzoate
SpectraBase Compound ID 1pmr5PraaUJ
InChI InChI=1S/C14H11F3N2O3/c1-2-22-12(21)9-3-5-10(6-4-9)19-11(8-20)7-18-13(19)14(15,16)17/h3-8H,2H2,1H3
InChIKey SZBLPJHTCSJAMC-UHFFFAOYSA-N
Mol Weight 312.25 g/mol
Molecular Formula C14H11F3N2O3
Exact Mass 312.072177 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BwtcOD4s6gc
Name Ethyl 4-(5-formyl-2-(trifluoromethyl)-1H-imidazol-1-yl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11F3N2O3
InChI InChI=1S/C14H11F3N2O3/c1-2-22-12(21)9-3-5-10(6-4-9)19-11(8-20)7-18-13(19)14(15,16)17/h3-8H,2H2,1H3
InChIKey SZBLPJHTCSJAMC-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol3000525
Molecular Weight 312.248 g/mol
SMILES c1nc([n](c1C=O)-c1ccc(C(OCC)=O)cc1)C(F)(F)F
SPLASH splash10-0aor-0973000000-3a82a42685d735a4c4ca
Source of Spectrum A1-14-1130/SM14-4f
Synonyms 4-[5-formyl-2-(trifluoromethyl)-1-imidazolyl]benzoic acid ethyl ester Ethyl 4-[5-formyl-2-(trifluoromethyl)imidazol-1-yl]benzoate Ethyl 4-[5-methanoyl-2-(trifluoromethyl)imidazol-1-yl]benzoate
Wiley ID 1750088