For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2,2,3,3,4,4,4-Heptafluoro-1-(4-(3-methoxybenzoyl)piperazin-1-yl)butan-1-one

View entire compound with spectra: 1 NMR

2,2,3,3,4,4,4-Heptafluoro-1-(4-(3-methoxybenzoyl)piperazin-1-yl)butan-1-one
SpectraBase Compound ID Ir6TSJ4JqgS
InChI InChI=1S/C16H15F7N2O3/c1-28-11-4-2-3-10(9-11)12(26)24-5-7-25(8-6-24)13(27)14(17,18)15(19,20)16(21,22)23/h2-4,9H,5-8H2,1H3
InChIKey RPUGHUQFNVQOOM-UHFFFAOYSA-N
Mol Weight 416.3 g/mol
Molecular Formula C16H15F7N2O3
Exact Mass 416.097089 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KNxR92XX3Pr
Name 2,2,3,3,4,4,4-Heptafluoro-1-(4-(3-methoxybenzoyl)piperazin-1-yl)butan-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.097089489 u
Formula C16H15F7N2O3
InChI InChI=1S/C16H15F7N2O3/c1-28-11-4-2-3-10(9-11)12(26)24-5-7-25(8-6-24)13(27)14(17,18)15(19,20)16(21,22)23/h2-4,9H,5-8H2,1H3
InChIKey RPUGHUQFNVQOOM-UHFFFAOYSA-N
Molecular Weight 416.296 g/mol
SMILES C(N1CCN(CC1)C(=O)C(F)(F)C(F)(F)C(F)(F)F)(=O)C1=CC(=CC=C1)OC