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1-(4-(1-(Benzo[D][1,3]dioxol-5-yl)propan-2-yl)piperazin-1-yl)-2,2,3,3,4,4,4-heptafluorobutan-1-one

View entire compound with spectra: 1 FTIR

1-(4-(1-(Benzo[D][1,3]dioxol-5-yl)propan-2-yl)piperazin-1-yl)-2,2,3,3,4,4,4-heptafluorobutan-1-one
SpectraBase Compound ID IQxP8mAsHDA
InChI InChI=1S/C18H19F7N2O3/c1-11(8-12-2-3-13-14(9-12)30-10-29-13)26-4-6-27(7-5-26)15(28)16(19,20)17(21,22)18(23,24)25/h2-3,9,11H,4-8,10H2,1H3
InChIKey RVXSVSTYUAOQSS-UHFFFAOYSA-N
Mol Weight 444.35 g/mol
Molecular Formula C18H19F7N2O3
Exact Mass 444.12839 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BKxLzzmOabk
Name 1-(4-(1-(Benzo[D][1,3]dioxol-5-yl)propan-2-yl)piperazin-1-yl)-2,2,3,3,4,4,4-heptafluorobutan-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.128389618 u
Formula C18H19F7N2O3
InChI InChI=1S/C18H19F7N2O3/c1-11(8-12-2-3-13-14(9-12)30-10-29-13)26-4-6-27(7-5-26)15(28)16(19,20)17(21,22)18(23,24)25/h2-3,9,11H,4-8,10H2,1H3
InChIKey RVXSVSTYUAOQSS-UHFFFAOYSA-N
Molecular Weight 444.350 g/mol
SMILES C12=C(C=CC(=C2)CC(N2CCN(CC2)C(C(F)(F)C(F)(F)C(F)(F)F)=O)C)OCO1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.872717