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(2S,6R)-2-[(1E,3E)-nona-1,3-dienyl]-1-(2,2,2-trifluoroacetyl)-6-(trifluoromethyl)-4-piperidone
SpectraBase Compound ID 9IJeVUOdNn4
InChI InChI=1S/C17H21F6NO2/c1-2-3-4-5-6-7-8-9-12-10-13(25)11-14(16(18,19)20)24(12)15(26)17(21,22)23/h6-9,12,14H,2-5,10-11H2,1H3/b7-6+,9-8+/t12-,14-/m1/s1
InChIKey SRCWEPZKTWRMCU-CQGNPGTNSA-N
Mol Weight 385.35 g/mol
Molecular Formula C17H21F6NO2
Exact Mass 385.147648 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5bxNCITA79O
Name (2S,6R)-2-[(1E,3E)-nona-1,3-dienyl]-1-(2,2,2-trifluoroacetyl)-6-(trifluoromethyl)-4-piperidone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21F6NO2
InChI InChI=1S/C17H21F6NO2/c1-2-3-4-5-6-7-8-9-12-10-13(25)11-14(16(18,19)20)24(12)15(26)17(21,22)23/h6-9,12,14H,2-5,10-11H2,1H3/b7-6+,9-8+/t12-,14-/m1/s1
InChIKey SRCWEPZKTWRMCU-CQGNPGTNSA-N
Molecular Weight 385.350 g/mol
SMILES [C@@]1(N([C@@](CC(C1)=O)(\C=C\C=C\CCCCC)[H])C(C(F)(F)F)=O)(C(F)(F)F)[H]
SPLASH splash10-0096-9521000000-cf5580781ce031fb9be5
Source of Spectrum K1-0-3432-41
Synonyms (2S,6R)-2-[(1E,3E)-nona-1,3-dienyl]-1-(2,2,2-trifluoroacetyl)-6-(trifluoromethyl)piperidin-4-one (2S,6R)-2-[(1E,3E)-nona-1,3-dienyl]-6-(trifluoromethyl)-1-(2,2,2-trifluoro-1-oxoethyl)-4-piperidinone (2S,6R)-2-[(1E,3E)-nona-1,3-dienyl]-6-(trifluoromethyl)-1-[2,2,2-tris(fluoranyl)ethanoyl]piperidin-4-one
Wiley ID 1589210