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(E)-4-[5-phenyl-3-(2,2,3,3-tetrafluoropropyl)-4-triazolyl]-3-buten-2-one
SpectraBase Compound ID I50jVqYODWL
InChI InChI=1S/C15H13F4N3O/c1-10(23)7-8-12-13(11-5-3-2-4-6-11)20-21-22(12)9-15(18,19)14(16)17/h2-8,14H,9H2,1H3/b8-7+
InChIKey NWEASZBRKPWWET-BQYQJAHWSA-N
Mol Weight 327.28 g/mol
Molecular Formula C15H13F4N3O
Exact Mass 327.099475 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BvNodpmgIO
Name (E)-4-[5-phenyl-3-(2,2,3,3-tetrafluoropropyl)-4-triazolyl]-3-buten-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13F4N3O
InChI InChI=1S/C15H13F4N3O/c1-10(23)7-8-12-13(11-5-3-2-4-6-11)20-21-22(12)9-15(18,19)14(16)17/h2-8,14H,9H2,1H3/b8-7+
InChIKey NWEASZBRKPWWET-BQYQJAHWSA-N
Molecular Weight 327.283 g/mol
SMILES c1([n](nnc1-c1ccccc1)CC(C(F)F)(F)F)\C=C\C(=O)C
SPLASH splash10-00kg-6931000000-84fecc8498fe7fa668de
Source of Spectrum F4-0-2734-5
Synonyms (E)-4-[5-phenyl-3-(2,2,3,3-tetrafluoropropyl)triazol-4-yl]but-3-en-2-one (E)-4-[5-phenyl-3-[2,2,3,3-tetrakis(fluoranyl)propyl]-1,2,3-triazol-4-yl]but-3-en-2-one
Wiley ID 1618810