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N-(4-(Trifluoromethyl)phenyl)-4-oxo-4H-1-benzopyran-2-carboxamide
SpectraBase Compound ID Abu1i4GAlI2
InChI InChI=1S/C17H10F3NO3/c18-17(19,20)10-5-7-11(8-6-10)21-16(23)15-9-13(22)12-3-1-2-4-14(12)24-15/h1-9H,(H,21,23)
InChIKey IKBREGNZBFOPCK-UHFFFAOYSA-N
Mol Weight 333.27 g/mol
Molecular Formula C17H10F3NO3
Exact Mass 333.061278 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GnfAZiWCMv0
Name N-(4-(Trifluoromethyl)phenyl)-4-oxo-4H-1-benzopyran-2-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H10F3NO3
InChI InChI=1S/C17H10F3NO3/c18-17(19,20)10-5-7-11(8-6-10)21-16(23)15-9-13(22)12-3-1-2-4-14(12)24-15/h1-9H,(H,21,23)
InChIKey IKBREGNZBFOPCK-UHFFFAOYSA-N
Instrument Name VG AutoSpec
Ionization Type EI
Literature Reference DOI 10.1021/jm2004267
Molecular Weight 333.266 g/mol
SMILES N(C(C1=CC(c2ccccc2O1)=O)=O)c1ccc(cc1)C(F)(F)F
SPLASH splash10-001i-5409000000-dbfb43d7e0181d665552
Source of Spectrum AF-54-5170-9
Wiley ID 1851897