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3-(Pentafluorophenylaminophenylmethyl)but-3-en-2-one
SpectraBase Compound ID 8UfsHWnKPn4
InChI InChI=1S/C17H12F5NO/c1-8(9(2)24)16(10-6-4-3-5-7-10)23-17-14(21)12(19)11(18)13(20)15(17)22/h3-7,16,23H,1H2,2H3
InChIKey NOZNBTSGEOWTDU-UHFFFAOYSA-N
Mol Weight 341.28 g/mol
Molecular Formula C17H12F5NO
Exact Mass 341.083905 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3qdqBAJERxQ
Name 3-(Pentafluorophenylaminophenylmethyl)but-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12F5NO
InChI InChI=1S/C17H12F5NO/c1-8(9(2)24)16(10-6-4-3-5-7-10)23-17-14(21)12(19)11(18)13(20)15(17)22/h3-7,16,23H,1H2,2H3
InChIKey NOZNBTSGEOWTDU-UHFFFAOYSA-N
Molecular Weight 341.281 g/mol
SMILES N(c1c(c(F)c(c(c1F)F)F)F)C(C(C(=O)C)=C)c1ccccc1
SPLASH splash10-052f-9501000000-62b464ac537ae78142bb
Source of Spectrum KC-61-3847-2
Synonyms 3-[(2,3,4,5,6-pentafluoroanilino)(phenyl)methyl]-3-buten-2-one
Wiley ID 1628667