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Zectran, N-heptafluorobutyryl-

View entire compound with spectra: 1 FTIR

Zectran, N-heptafluorobutyryl-
SpectraBase Compound ID 8tFymsF79gd
InChI InChI=1S/C16H17F7N2O3/c1-8-6-10(7-9(2)11(8)24(3)4)28-13(27)25(5)12(26)14(17,18)15(19,20)16(21,22)23/h6-7H,1-5H3
InChIKey XOAILFKNQRDLDT-UHFFFAOYSA-N
Mol Weight 418.31 g/mol
Molecular Formula C16H17F7N2O3
Exact Mass 418.11274 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BXnCZqX6hwH
Name Zectran, N-heptafluorobutyryl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.112739553 u
Formula C16H17F7N2O3
InChI InChI=1S/C16H17F7N2O3/c1-8-6-10(7-9(2)11(8)24(3)4)28-13(27)25(5)12(26)14(17,18)15(19,20)16(21,22)23/h6-7H,1-5H3
InChIKey XOAILFKNQRDLDT-UHFFFAOYSA-N
Molecular Weight 418.312 g/mol
SMILES CN(C)C1=C(C)C=C(C=C1C)OC(N(C)C(=O)C(C(C(F)(F)F)(F)F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.839984